[{"day":"08","doi":"10.1021/acsaem.3c02519","abstract":[{"lang":"eng","text":"Production of hydrogen at large scale requires development of non-noble, inexpensive, and high-performing catalysts for constructing water-splitting devices. Herein, we report the synthesis of Zn-doped NiO heterostructure (ZnNiO) catalysts at room temperature via a coprecipitation method followed by drying (at 80 °C, 6 h) and calcination at an elevated temperature of 400 °C for 5 h under three distinct conditions, namely, air, N2, and vacuum. The vacuum-synthesized catalyst demonstrates a low overpotential of 88 mV at −10 mA cm–2 and a small Tafel slope of 73 mV dec–1 suggesting relatively higher charge transfer kinetics for hydrogen evolution reactions (HER) compared with the specimens synthesized under N2 or O2 atmosphere. It also demonstrates an oxygen evolution (OER) overpotential of 260 mV at 10 mA cm–2 with a low Tafel slope of 63 mV dec–1. In a full-cell water-splitting device, the vacuum-synthesized ZnNiO heterostructure demonstrates a cell voltage of 1.94 V at 50 mA cm–2 and shows remarkable stability over 24 h at a high current density of 100 mA cm–2. It is also demonstrated in this study that Zn-doping, surface, and interface engineering in transition-metal oxides play a crucial role in efficient electrocatalytic water splitting. Also, the results obtained from density functional theory (DFT + U = 0–8 eV), where U is the on-site Coulomb repulsion parameter also known as Hubbard U, based electronic structure calculations confirm that Zn doping constructively modifies the electronic structure, in both the valence band and the conduction band, and found to be suitable in tailoring the carrier’s effective masses of electrons and holes. The decrease in electron’s effective masses together with large differences between the effective masses of electrons and holes is noticed, which is found to be mainly responsible for achieving the best water-splitting performance from a 9% Zn-doped NiO sample prepared under vacuum."}],"year":"2024","citation":{"ieee":"G. K. Kiran et al., “Interface engineering modulation combined with electronic structure modification of Zn-doped NiO heterostructure for efficient water-splitting activity,” ACS Applied Energy Materials, vol. 7, no. 1. American Chemical Society, pp. 214–229, 2024.","chicago":"Kiran, Gundegowda Kalligowdanadoddi, Saurabh Singh, Neelima Mahato, Thupakula Venkata Madhukar Sreekanth, Gowra Raghupathy Dillip, Kisoo Yoo, and Jonghoon Kim. “Interface Engineering Modulation Combined with Electronic Structure Modification of Zn-Doped NiO Heterostructure for Efficient Water-Splitting Activity.” ACS Applied Energy Materials. American Chemical Society, 2024. https://doi.org/10.1021/acsaem.3c02519.","apa":"Kiran, G. K., Singh, S., Mahato, N., Sreekanth, T. V. M., Dillip, G. R., Yoo, K., & Kim, J. (2024). Interface engineering modulation combined with electronic structure modification of Zn-doped NiO heterostructure for efficient water-splitting activity. ACS Applied Energy Materials. American Chemical Society. https://doi.org/10.1021/acsaem.3c02519","ama":"Kiran GK, Singh S, Mahato N, et al. Interface engineering modulation combined with electronic structure modification of Zn-doped NiO heterostructure for efficient water-splitting activity. ACS Applied Energy Materials. 2024;7(1):214-229. doi:10.1021/acsaem.3c02519","ista":"Kiran GK, Singh S, Mahato N, Sreekanth TVM, Dillip GR, Yoo K, Kim J. 2024. Interface engineering modulation combined with electronic structure modification of Zn-doped NiO heterostructure for efficient water-splitting activity. ACS Applied Energy Materials. 7(1), 214–229.","short":"G.K. Kiran, S. Singh, N. Mahato, T.V.M. Sreekanth, G.R. Dillip, K. Yoo, J. Kim, ACS Applied Energy Materials 7 (2024) 214–229.","mla":"Kiran, Gundegowda Kalligowdanadoddi, et al. “Interface Engineering Modulation Combined with Electronic Structure Modification of Zn-Doped NiO Heterostructure for Efficient Water-Splitting Activity.” ACS Applied Energy Materials, vol. 7, no. 1, American Chemical Society, 2024, pp. 214–29, doi:10.1021/acsaem.3c02519."},"date_updated":"2025-07-22T14:07:29Z","external_id":{"isi":["001138342900001"],"oaworkID":["w4389780443"]},"isi":1,"volume":7,"acknowledgement":"This work was supported by the Technology Innovation Program (20011622, Development of Battery System Applied High-Efficiency Heat Control Polymer and Part Component) funded by the Ministry of Trade, Industry & Energy (MOTIE, Korea). Author acknowledge to Prof. Tsunehiro Takeuchi from Toyota Technological Institute, Nagoya, Japan for the support of computational resources.","article_processing_charge":"No","department":[{"_id":"MaIb"}],"date_created":"2024-01-17T12:48:35Z","publication_status":"published","intvolume":" 7","title":"Interface engineering modulation combined with electronic structure modification of Zn-doped NiO heterostructure for efficient water-splitting activity","scopus_import":"1","_id":"14828","issue":"1","author":[{"full_name":"Kiran, Gundegowda Kalligowdanadoddi","last_name":"Kiran","first_name":"Gundegowda Kalligowdanadoddi"},{"id":"12d625da-9cb3-11ed-9667-af09d37d3f0a","orcid":"0000-0003-2209-5269","full_name":"Singh, Saurabh","first_name":"Saurabh","last_name":"Singh"},{"first_name":"Neelima","last_name":"Mahato","full_name":"Mahato, Neelima"},{"last_name":"Sreekanth","first_name":"Thupakula Venkata Madhukar","full_name":"Sreekanth, Thupakula Venkata Madhukar"},{"last_name":"Dillip","first_name":"Gowra Raghupathy","full_name":"Dillip, Gowra Raghupathy"},{"first_name":"Kisoo","last_name":"Yoo","full_name":"Yoo, Kisoo"},{"full_name":"Kim, Jonghoon","last_name":"Kim","first_name":"Jonghoon"}],"publisher":"American Chemical Society","article_type":"original","quality_controlled":"1","page":"214-229","oaworkID":1,"publication_identifier":{"issn":["2574-0962"]},"type":"journal_article","date_published":"2024-01-08T00:00:00Z","status":"public","user_id":"2DF688A6-F248-11E8-B48F-1D18A9856A87","oa_version":"None","month":"01","publication":"ACS Applied Energy Materials","keyword":["Electrical and Electronic Engineering","Materials Chemistry","Electrochemistry","Energy Engineering and Power Technology","Chemical Engineering (miscellaneous)"],"language":[{"iso":"eng"}]},{"quality_controlled":"1","publisher":"Elsevier","article_type":"original","_id":"14379","scopus_import":"1","author":[{"last_name":"Mahato","first_name":"Neelima","full_name":"Mahato, Neelima"},{"first_name":"Saurabh","last_name":"Singh","orcid":"0000-0003-2209-5269","full_name":"Singh, Saurabh","id":"12d625da-9cb3-11ed-9667-af09d37d3f0a"},{"full_name":"Faisal, Mohammad","first_name":"Mohammad","last_name":"Faisal"},{"first_name":"T. V.M.","last_name":"Sreekanth","full_name":"Sreekanth, T. V.M."},{"last_name":"Majumder","first_name":"Sutripto","full_name":"Majumder, Sutripto"},{"full_name":"Yoo, Kisoo","first_name":"Kisoo","last_name":"Yoo"},{"full_name":"Kim, Jonghoon","first_name":"Jonghoon","last_name":"Kim"}],"publication_status":"published","article_processing_charge":"No","department":[{"_id":"MaIb"}],"date_created":"2023-10-01T22:01:13Z","title":"Polycrystalline phases grown in-situ engendering unique mechanism of charge storage in polyaniline-graphite composite","intvolume":" 299","acknowledgement":"This work was supported by 2023 Yeungnam University Research Grant.","volume":299,"date_updated":"2024-01-30T13:55:50Z","year":"2023","citation":{"ama":"Mahato N, Singh S, Faisal M, et al. Polycrystalline phases grown in-situ engendering unique mechanism of charge storage in polyaniline-graphite composite. Synthetic Metals. 2023;299. doi:10.1016/j.synthmet.2023.117463","apa":"Mahato, N., Singh, S., Faisal, M., Sreekanth, T. V. M., Majumder, S., Yoo, K., & Kim, J. (2023). Polycrystalline phases grown in-situ engendering unique mechanism of charge storage in polyaniline-graphite composite. Synthetic Metals. Elsevier. https://doi.org/10.1016/j.synthmet.2023.117463","ieee":"N. Mahato et al., “Polycrystalline phases grown in-situ engendering unique mechanism of charge storage in polyaniline-graphite composite,” Synthetic Metals, vol. 299. Elsevier, 2023.","chicago":"Mahato, Neelima, Saurabh Singh, Mohammad Faisal, T. V.M. Sreekanth, Sutripto Majumder, Kisoo Yoo, and Jonghoon Kim. “Polycrystalline Phases Grown In-Situ Engendering Unique Mechanism of Charge Storage in Polyaniline-Graphite Composite.” Synthetic Metals. Elsevier, 2023. https://doi.org/10.1016/j.synthmet.2023.117463.","mla":"Mahato, Neelima, et al. “Polycrystalline Phases Grown In-Situ Engendering Unique Mechanism of Charge Storage in Polyaniline-Graphite Composite.” Synthetic Metals, vol. 299, 117463, Elsevier, 2023, doi:10.1016/j.synthmet.2023.117463.","short":"N. Mahato, S. Singh, M. Faisal, T.V.M. Sreekanth, S. Majumder, K. Yoo, J. Kim, Synthetic Metals 299 (2023).","ista":"Mahato N, Singh S, Faisal M, Sreekanth TVM, Majumder S, Yoo K, Kim J. 2023. Polycrystalline phases grown in-situ engendering unique mechanism of charge storage in polyaniline-graphite composite. Synthetic Metals. 299, 117463."},"isi":1,"external_id":{"isi":["001083568900001"]},"doi":"10.1016/j.synthmet.2023.117463","day":"01","abstract":[{"lang":"eng","text":"We report on a simple surfactant/template free chemical route for the synthesis of semi-polycrystalline polyaniline-graphite (SPani-graphite) composite and its application as an electroactive material in electrochemical charge storage. The synthesized material exhibits well-defined poly-crystallographic lattices in high resolution transmission electron micrographs and sharp peaks in x-ray diffraction spectra suggesting crystalline nature of the material. The specific capacitance computed from the galvanostatic charge-discharge (GCD) data obtained from 3-electrode cell configuration using 1 M aq. Na2SO4 as an electrolyte was 111.4 F g−1 at a current density of 0.1 A g−1 which rises to 269 F g−1 at an elevated current density of 1.0 A g−1. A similar pattern of increase in the specific capacitance values with an increase in the current density was observed in the results obtained from 2-electrode symmetric device configuration using polymer gel electrolyte (xanthan gum in 1 M aq. Na2SO4). The specific capacitance computed from the GCD data obtained from the device configuration was 20 F g−1 at the current density of 1.0 A g−1. The device delivers an energy density of 1.7 Wh kg−1 and a power density of 2.48 kWh kg−1 at an applied current density of 0.5 A g−1 suggesting an excellent rate capability and power management. In addition, the device exhibits ⁓92 % specific capacitance retention up to 8000 continuous GCD cycles and ⁓80 % coulombic efficiency up to 10,000 continuous GCD cycles indicating excellent cycling stability. The unique feature of increasing specific capacitance with respect to applied current density is attributed to the presence of semi-polycrystalline phases in the SPani-graphite matrix. The material behaves as a surface redox supercapacitor and its unique mechanism of charge storage is discussed in detail in the article."}],"language":[{"iso":"eng"}],"publication":"Synthetic Metals","oa_version":"None","month":"11","article_number":"117463","status":"public","user_id":"2DF688A6-F248-11E8-B48F-1D18A9856A87","date_published":"2023-11-01T00:00:00Z","type":"journal_article","publication_identifier":{"issn":["0379-6779"]}},{"page":"1413-1414","quality_controlled":"1","publisher":"AAAS","article_type":"letter_note","pmid":1,"_id":"14404","scopus_import":"1","author":[{"full_name":"Balazs, Daniel","orcid":"0000-0001-7597-043X","last_name":"Balazs","first_name":"Daniel","id":"302BADF6-85FC-11EA-9E3B-B9493DDC885E"},{"last_name":"Ibáñez","first_name":"Maria","full_name":"Ibáñez, Maria","orcid":"0000-0001-5013-2843","id":"43C61214-F248-11E8-B48F-1D18A9856A87"}],"issue":"6665","publication_status":"published","article_processing_charge":"No","department":[{"_id":"MaIb"},{"_id":"LifeSc"}],"date_created":"2023-10-08T22:01:16Z","title":"Widening the use of 3D printing","intvolume":" 381","volume":381,"acknowledgement":"The authors thank the Werner-Siemens-Stiftung and the Institute of Science and Technology Austria for financial support.","date_updated":"2023-10-09T07:32:58Z","year":"2023","citation":{"ista":"Balazs D, Ibáñez M. 2023. Widening the use of 3D printing. Science. 381(6665), 1413–1414.","mla":"Balazs, Daniel, and Maria Ibáñez. “Widening the Use of 3D Printing.” Science, vol. 381, no. 6665, AAAS, 2023, pp. 1413–14, doi:10.1126/science.adk3070.","short":"D. Balazs, M. Ibáñez, Science 381 (2023) 1413–1414.","ieee":"D. Balazs and M. Ibáñez, “Widening the use of 3D printing,” Science, vol. 381, no. 6665. AAAS, pp. 1413–1414, 2023.","chicago":"Balazs, Daniel, and Maria Ibáñez. “Widening the Use of 3D Printing.” Science. AAAS, 2023. https://doi.org/10.1126/science.adk3070.","ama":"Balazs D, Ibáñez M. Widening the use of 3D printing. Science. 2023;381(6665):1413-1414. doi:10.1126/science.adk3070","apa":"Balazs, D., & Ibáñez, M. (2023). Widening the use of 3D printing. Science. AAAS. https://doi.org/10.1126/science.adk3070"},"external_id":{"pmid":["37769110"]},"doi":"10.1126/science.adk3070","day":"29","abstract":[{"text":"A light-triggered fabrication method extends the functionality of printable nanomaterials","lang":"eng"}],"language":[{"iso":"eng"}],"publication":"Science","oa_version":"None","project":[{"_id":"9B8F7476-BA93-11EA-9121-9846C619BF3A","name":"HighTE: The Werner Siemens Laboratory for the High Throughput Discovery of Semiconductors for Waste Heat Recovery"}],"month":"09","user_id":"2DF688A6-F248-11E8-B48F-1D18A9856A87","status":"public","date_published":"2023-09-29T00:00:00Z","type":"journal_article","publication_identifier":{"eissn":["1095-9203"]}},{"doi":"10.1002/adma.202303719","day":"24","abstract":[{"text":"High entropy alloys (HEAs) are highly suitable candidate catalysts for oxygen evolution and reduction reactions (OER/ORR) as they offer numerous parameters for optimizing the electronic structure and catalytic sites. Herein, FeCoNiMoW HEA nanoparticles are synthesized using a solution‐based low‐temperature approach. Such FeCoNiMoW nanoparticles show high entropy properties, subtle lattice distortions, and modulated electronic structure, leading to superior OER performance with an overpotential of 233 mV at 10 mA cm−2 and 276 mV at 100 mA cm−2. Density functional theory calculations reveal the electronic structures of the FeCoNiMoW active sites with an optimized d‐band center position that enables suitable adsorption of OOH* intermediates and reduces the Gibbs free energy barrier in the OER process. Aqueous zinc–air batteries (ZABs) based on this HEA demonstrate a high open circuit potential of 1.59 V, a peak power density of 116.9 mW cm−2, a specific capacity of 857 mAh gZn−1, and excellent stability for over 660 h of continuous charge–discharge cycles. Flexible and solid ZABs are also assembled and tested, displaying excellent charge–discharge performance at different bending angles. This work shows the significance of 4d/5d metal‐modulated electronic structure and optimized adsorption ability to improve the performance of OER/ORR, ZABs, and beyond.","lang":"eng"}],"date_updated":"2023-12-13T13:03:23Z","year":"2023","citation":{"ista":"He R, Yang L, Zhang Y, Jiang D, Lee S, Horta S, Liang Z, Lu X, Ostovari Moghaddam A, Li J, Ibáñez M, Xu Y, Zhou Y, Cabot A. 2023. A 3d‐4d‐5d high entropy alloy as a bifunctional oxygen catalyst for robust aqueous zinc–air batteries. Advanced Materials., 2303719.","mla":"He, Ren, et al. “A 3d‐4d‐5d High Entropy Alloy as a Bifunctional Oxygen Catalyst for Robust Aqueous Zinc–Air Batteries.” Advanced Materials, 2303719, Wiley, 2023, doi:10.1002/adma.202303719.","short":"R. He, L. Yang, Y. Zhang, D. Jiang, S. Lee, S. Horta, Z. Liang, X. Lu, A. Ostovari Moghaddam, J. Li, M. Ibáñez, Y. Xu, Y. Zhou, A. Cabot, Advanced Materials (2023).","ieee":"R. He et al., “A 3d‐4d‐5d high entropy alloy as a bifunctional oxygen catalyst for robust aqueous zinc–air batteries,” Advanced Materials. Wiley, 2023.","chicago":"He, Ren, Linlin Yang, Yu Zhang, Daochuan Jiang, Seungho Lee, Sharona Horta, Zhifu Liang, et al. “A 3d‐4d‐5d High Entropy Alloy as a Bifunctional Oxygen Catalyst for Robust Aqueous Zinc–Air Batteries.” Advanced Materials. Wiley, 2023. https://doi.org/10.1002/adma.202303719.","ama":"He R, Yang L, Zhang Y, et al. A 3d‐4d‐5d high entropy alloy as a bifunctional oxygen catalyst for robust aqueous zinc–air batteries. Advanced Materials. 2023. doi:10.1002/adma.202303719","apa":"He, R., Yang, L., Zhang, Y., Jiang, D., Lee, S., Horta, S., … Cabot, A. (2023). A 3d‐4d‐5d high entropy alloy as a bifunctional oxygen catalyst for robust aqueous zinc–air batteries. Advanced Materials. Wiley. https://doi.org/10.1002/adma.202303719"},"isi":1,"external_id":{"pmid":["37487245"],"isi":["001083876900001"]},"acknowledgement":"The authors acknowledge funding from Generalitat de Catalunya 2021 SGR 01581; the project COMBENERGY, PID2019-105490RB-C32, from the Spanish Ministerio de Ciencia e Innovación; the National Natural Science Foundation of China (22102002); the Anhui Provincial Natural Science Foundation (2108085QE192); Zhejiang Province key research and development project (2023C01191); the Foundation of State Key Laboratory of High-efficiency Utilization of Coal and Green Chemical Engineering (GrantNo.2022-K31); and The Key Research and Development Program of Hebei Province (20314305D). IREC is funded by the CERCA Programme from the Generalitat de Catalunya. L.L.Y. thanks the China Scholarship Council (CSC) for the scholarship support (202008130132). This research was supported by the Scientific Service Units (SSU) of ISTA (Institute of Science and Technology Austria) through resources provided by the Electron Microscopy Facility (EMF). S.L., S.H., and M.I. acknowledge funding by ISTA and the Werner Siemens.","publication_status":"epub_ahead","department":[{"_id":"MaIb"}],"date_created":"2023-10-17T10:52:23Z","article_processing_charge":"No","title":"A 3d‐4d‐5d high entropy alloy as a bifunctional oxygen catalyst for robust aqueous zinc–air batteries","_id":"14434","pmid":1,"author":[{"first_name":"Ren","last_name":"He","full_name":"He, Ren"},{"first_name":"Linlin","last_name":"Yang","full_name":"Yang, Linlin"},{"full_name":"Zhang, Yu","first_name":"Yu","last_name":"Zhang"},{"last_name":"Jiang","first_name":"Daochuan","full_name":"Jiang, Daochuan"},{"last_name":"Lee","first_name":"Seungho","full_name":"Lee, Seungho","orcid":"0000-0002-6962-8598","id":"BB243B88-D767-11E9-B658-BC13E6697425"},{"full_name":"Horta, Sharona","first_name":"Sharona","last_name":"Horta","id":"03a7e858-01b1-11ec-8b71-99ae6c4a05bc"},{"full_name":"Liang, Zhifu","first_name":"Zhifu","last_name":"Liang"},{"full_name":"Lu, Xuan","first_name":"Xuan","last_name":"Lu"},{"first_name":"Ahmad","last_name":"Ostovari Moghaddam","full_name":"Ostovari Moghaddam, Ahmad"},{"last_name":"Li","first_name":"Junshan","full_name":"Li, Junshan"},{"full_name":"Ibáñez, Maria","orcid":"0000-0001-5013-2843","last_name":"Ibáñez","first_name":"Maria","id":"43C61214-F248-11E8-B48F-1D18A9856A87"},{"last_name":"Xu","first_name":"Ying","full_name":"Xu, Ying"},{"full_name":"Zhou, Yingtang","last_name":"Zhou","first_name":"Yingtang"},{"last_name":"Cabot","first_name":"Andreu","full_name":"Cabot, Andreu"}],"publisher":"Wiley","article_type":"original","quality_controlled":"1","publication_identifier":{"issn":["0935-9648","1521-4095"]},"date_published":"2023-07-24T00:00:00Z","type":"journal_article","user_id":"2DF688A6-F248-11E8-B48F-1D18A9856A87","status":"public","acknowledged_ssus":[{"_id":"EM-Fac"}],"oa_version":"None","project":[{"_id":"9B8F7476-BA93-11EA-9121-9846C619BF3A","name":"HighTE: The Werner Siemens Laboratory for the High Throughput Discovery of Semiconductors for Waste Heat Recovery"}],"month":"07","article_number":"2303719","publication":"Advanced Materials","language":[{"iso":"eng"}],"keyword":["Mechanical Engineering","Mechanics of Materials","General Materials Science"]},{"publication_status":"accepted","oa_version":"None","article_processing_charge":"No","date_created":"2023-10-17T10:53:56Z","department":[{"_id":"MaIb"}],"month":"08","title":"A layered Bi2Te3@PPy cathode for aqueous zinc ion batteries: Mechanism and application in printed flexible batteries","article_number":"2305128","_id":"14435","publication":"Advanced Materials","pmid":1,"author":[{"first_name":"Guifang","last_name":"Zeng","full_name":"Zeng, Guifang"},{"first_name":"Qing","last_name":"Sun","full_name":"Sun, Qing"},{"full_name":"Horta, Sharona","first_name":"Sharona","last_name":"Horta","id":"03a7e858-01b1-11ec-8b71-99ae6c4a05bc"},{"first_name":"Shang","last_name":"Wang","full_name":"Wang, Shang"},{"full_name":"Lu, Xuan","last_name":"Lu","first_name":"Xuan"},{"first_name":"Chaoyue","last_name":"Zhang","full_name":"Zhang, Chaoyue"},{"full_name":"Li, Jing","last_name":"Li","first_name":"Jing"},{"last_name":"Li","first_name":"Junshan","full_name":"Li, Junshan"},{"first_name":"Lijie","last_name":"Ci","full_name":"Ci, Lijie"},{"full_name":"Tian, Yanhong","first_name":"Yanhong","last_name":"Tian"},{"full_name":"Ibáñez, Maria","orcid":"0000-0001-5013-2843","last_name":"Ibáñez","first_name":"Maria","id":"43C61214-F248-11E8-B48F-1D18A9856A87"},{"full_name":"Cabot, Andreu","last_name":"Cabot","first_name":"Andreu"}],"publisher":"Wiley","article_type":"original","quality_controlled":"1","language":[{"iso":"eng"}],"keyword":["Mechanical Engineering","Mechanics of Materials","General Materials Science"],"doi":"10.1002/adma.202305128","publication_identifier":{"issn":["0935-9648"],"eissn":["1521-4095"]},"day":"09","abstract":[{"text":"Low‐cost, safe, and environmental‐friendly rechargeable aqueous zinc‐ion batteries (ZIBs) are promising as next‐generation energy storage devices for wearable electronics among other applications. However, sluggish ionic transport kinetics and the unstable electrode structure during ionic insertion/extraction hampers their deployment. Herein, we propose a new cathode material based on a layered metal chalcogenide (LMC), bismuth telluride (Bi2Te3), coated with polypyrrole (PPy). Taking advantage of the PPy coating, the Bi2Te3@PPy composite presents strong ionic absorption affinity, high oxidation resistance, and high structural stability. The ZIBs based on Bi2Te3@PPy cathodes exhibit high capacities and ultra‐long lifespans of over 5000 cycles. They also present outstanding stability even under bending. In addition, we analyze here the reaction mechanism using in situ X‐ray diffraction, X‐ray photoelectron spectroscopy, and computational tools and demonstrate that, in the aqueous system, Zn2+ is not inserted into the cathode as previously assumed. In contrast, proton charge storage dominates the process. Overall, this work not only shows the great potential of LMCs as ZIBs cathode materials and the advantages of PPy coating, but also clarifies the charge/discharge mechanism in rechargeable ZIBs based on LMCs.","lang":"eng"}],"date_updated":"2023-12-13T13:03:53Z","citation":{"apa":"Zeng, G., Sun, Q., Horta, S., Wang, S., Lu, X., Zhang, C., … Cabot, A. (n.d.). A layered Bi2Te3@PPy cathode for aqueous zinc ion batteries: Mechanism and application in printed flexible batteries. Advanced Materials. Wiley. https://doi.org/10.1002/adma.202305128","ama":"Zeng G, Sun Q, Horta S, et al. A layered Bi2Te3@PPy cathode for aqueous zinc ion batteries: Mechanism and application in printed flexible batteries. Advanced Materials. doi:10.1002/adma.202305128","ieee":"G. Zeng et al., “A layered Bi2Te3@PPy cathode for aqueous zinc ion batteries: Mechanism and application in printed flexible batteries,” Advanced Materials. Wiley.","chicago":"Zeng, Guifang, Qing Sun, Sharona Horta, Shang Wang, Xuan Lu, Chaoyue Zhang, Jing Li, et al. “A Layered Bi2Te3@PPy Cathode for Aqueous Zinc Ion Batteries: Mechanism and Application in Printed Flexible Batteries.” Advanced Materials. Wiley, n.d. https://doi.org/10.1002/adma.202305128.","mla":"Zeng, Guifang, et al. “A Layered Bi2Te3@PPy Cathode for Aqueous Zinc Ion Batteries: Mechanism and Application in Printed Flexible Batteries.” Advanced Materials, 2305128, Wiley, doi:10.1002/adma.202305128.","short":"G. Zeng, Q. Sun, S. Horta, S. Wang, X. Lu, C. Zhang, J. Li, J. Li, L. Ci, Y. Tian, M. Ibáñez, A. Cabot, Advanced Materials (n.d.).","ista":"Zeng G, Sun Q, Horta S, Wang S, Lu X, Zhang C, Li J, Li J, Ci L, Tian Y, Ibáñez M, Cabot A. A layered Bi2Te3@PPy cathode for aqueous zinc ion batteries: Mechanism and application in printed flexible batteries. Advanced Materials., 2305128."},"year":"2023","isi":1,"date_published":"2023-08-09T00:00:00Z","type":"journal_article","external_id":{"isi":["001085681000001"],"pmid":["37555532"]},"user_id":"2DF688A6-F248-11E8-B48F-1D18A9856A87","status":"public"},{"volume":674,"status":"public","user_id":"2DF688A6-F248-11E8-B48F-1D18A9856A87","date_updated":"2023-12-12T08:22:23Z","citation":{"apa":"Gupta, S. L., Singh, S., Kumar, S., Anupam, U., Thakur, S. S., Kumar, A., … Diwaker, D. (2023). Ab-initio stability of Iridium based newly proposed full and quaternary heusler alloys. Physica B: Condensed Matter. Elsevier. https://doi.org/10.1016/j.physb.2023.415539","ama":"Gupta SL, Singh S, Kumar S, et al. Ab-initio stability of Iridium based newly proposed full and quaternary heusler alloys. Physica B: Condensed Matter. 2023;674. doi:10.1016/j.physb.2023.415539","ieee":"S. L. Gupta et al., “Ab-initio stability of Iridium based newly proposed full and quaternary heusler alloys,” Physica B: Condensed Matter, vol. 674. Elsevier, 2023.","chicago":"Gupta, Shyam Lal, Saurabh Singh, Sumit Kumar, Unknown Anupam, Samjeet Singh Thakur, Ashish Kumar, Sanjay Panwar, and D. Diwaker. “Ab-Initio Stability of Iridium Based Newly Proposed Full and Quaternary Heusler Alloys.” Physica B: Condensed Matter. Elsevier, 2023. https://doi.org/10.1016/j.physb.2023.415539.","short":"S.L. Gupta, S. Singh, S. Kumar, U. Anupam, S.S. Thakur, A. Kumar, S. Panwar, D. Diwaker, Physica B: Condensed Matter 674 (2023).","mla":"Gupta, Shyam Lal, et al. “Ab-Initio Stability of Iridium Based Newly Proposed Full and Quaternary Heusler Alloys.” Physica B: Condensed Matter, vol. 674, 415539, Elsevier, 2023, doi:10.1016/j.physb.2023.415539.","ista":"Gupta SL, Singh S, Kumar S, Anupam U, Thakur SS, Kumar A, Panwar S, Diwaker D. 2023. Ab-initio stability of Iridium based newly proposed full and quaternary heusler alloys. Physica B: Condensed Matter. 674, 415539."},"year":"2023","date_published":"2023-11-28T00:00:00Z","type":"journal_article","doi":"10.1016/j.physb.2023.415539","day":"28","publication_identifier":{"issn":["0921-4526"]},"abstract":[{"text":"In order to demonstrate the stability of newly proposed iridium-based Ir2Cr(In,Sn) and IrRhCr(In,Sn) heusler alloys, we present ab-initio analysis of these alloys by examining various properties to prove their stability. The stability of these alloys can be inferred from different cohesive and formation energies as well as positive phonon frequencies. Their electronic structure results indicate that they are semi-metals in nature. The magnetic moments are computed using the Slater-Pauling formula and exhibit a high value, with the Cr atom contributing the most in all alloys. Mulliken’s charge analysis results show that our alloys contain a range of linkages, mainly ionic and covalent ones. The ductility and mechanical stability of these alloys are confirmed by elastic constants viz. Poisson’s ratio, Pugh’s ratio, and many different types of elastic moduli.","lang":"eng"}],"quality_controlled":"1","language":[{"iso":"eng"}],"publisher":"Elsevier","article_type":"original","publication":"Physica B: Condensed Matter","_id":"14652","scopus_import":"1","author":[{"last_name":"Gupta","first_name":"Shyam Lal","full_name":"Gupta, Shyam Lal"},{"first_name":"Saurabh","last_name":"Singh","orcid":"0000-0003-2209-5269","full_name":"Singh, Saurabh","id":"12d625da-9cb3-11ed-9667-af09d37d3f0a"},{"full_name":"Kumar, Sumit","last_name":"Kumar","first_name":"Sumit"},{"last_name":"Anupam","first_name":"Unknown","full_name":"Anupam, Unknown"},{"full_name":"Thakur, Samjeet Singh","first_name":"Samjeet Singh","last_name":"Thakur"},{"first_name":"Ashish","last_name":"Kumar","full_name":"Kumar, Ashish"},{"first_name":"Sanjay","last_name":"Panwar","full_name":"Panwar, Sanjay"},{"last_name":"Diwaker","first_name":"D.","full_name":"Diwaker, D."}],"oa_version":"None","publication_status":"epub_ahead","department":[{"_id":"MaIb"}],"date_created":"2023-12-10T23:00:56Z","article_processing_charge":"No","title":"Ab-initio stability of Iridium based newly proposed full and quaternary heusler alloys","month":"11","article_number":"415539","intvolume":" 674"},{"intvolume":" 13","title":"Microkinetic modeling with size-dependent and adsorbate-adsorbate interactions for the direct synthesis of H₂O₂ over Pd nanoparticles","article_processing_charge":"Yes (in subscription journal)","date_created":"2023-12-10T23:00:59Z","department":[{"_id":"MaIb"}],"publication_status":"published","issue":"22","author":[{"last_name":"Zhao","first_name":"Jinyan","full_name":"Zhao, Jinyan"},{"last_name":"Yao","first_name":"Zihao","full_name":"Yao, Zihao"},{"id":"91deeae8-1207-11ec-b130-c194ad5b50c6","orcid":"0000-0001-6928-074X","full_name":"Bunting, Rhys","first_name":"Rhys","last_name":"Bunting"},{"full_name":"Hu, P.","last_name":"Hu","first_name":"P."},{"first_name":"Jianguo","last_name":"Wang","full_name":"Wang, Jianguo"}],"scopus_import":"1","_id":"14663","article_type":"original","publisher":"American Chemical Society","file_date_updated":"2023-12-11T11:55:09Z","quality_controlled":"1","page":"15054-15073","abstract":[{"lang":"eng","text":"As a bottleneck in the direct synthesis of hydrogen peroxide, the development of an efficient palladium-based catalyst has garnered great attention. However, elusive active centers and reaction mechanism issues inhibit further optimization of its performance. In this work, advanced microkinetic modeling with the adsorbate–adsorbate interaction and nanoparticle size effect based on first-principles calculations is developed. A full mechanism uncovering the significance of adsorbate–adsorbate interaction is determined on Pd nanoparticles. We demonstrate unambiguously that Pd(100) with main coverage species of O2 and H is beneficial to H2O2 production, being consistent with experimental operando observation, while H2O forms on Pd(111) covered by O species and Pd(211) covered by O and OH species. Kinetic analyses further enable quantitative estimation of the influence of temperature, pressure, and particle size. Large-size Pd nanoparticles are found to achieve a high H2O2 reaction rate when the operating conditions are moderate temperature and higher oxygen partial pressure. We reveal that specific facets of the Pd nanoparticles are crucial factors for their selectivity and activity. Consistent with the experiment, the production of H2O2 is discovered to be more favorable on Pd nanoparticles containing Pd(100) facets. The ratio of H2/O2 induces substantial variations in the coverage of intermediates of O2 and H on Pd(100), resulting in a change in product selectivity."}],"day":"06","doi":"10.1021/acscatal.3c03893","year":"2023","citation":{"short":"J. Zhao, Z. Yao, R. Bunting, P. Hu, J. Wang, ACS Catalysis 13 (2023) 15054–15073.","mla":"Zhao, Jinyan, et al. “Microkinetic Modeling with Size-Dependent and Adsorbate-Adsorbate Interactions for the Direct Synthesis of H₂O₂ over Pd Nanoparticles.” ACS Catalysis, vol. 13, no. 22, American Chemical Society, 2023, pp. 15054–73, doi:10.1021/acscatal.3c03893.","ista":"Zhao J, Yao Z, Bunting R, Hu P, Wang J. 2023. Microkinetic modeling with size-dependent and adsorbate-adsorbate interactions for the direct synthesis of H₂O₂ over Pd nanoparticles. ACS Catalysis. 13(22), 15054–15073.","ama":"Zhao J, Yao Z, Bunting R, Hu P, Wang J. Microkinetic modeling with size-dependent and adsorbate-adsorbate interactions for the direct synthesis of H₂O₂ over Pd nanoparticles. ACS Catalysis. 2023;13(22):15054-15073. doi:10.1021/acscatal.3c03893","apa":"Zhao, J., Yao, Z., Bunting, R., Hu, P., & Wang, J. (2023). Microkinetic modeling with size-dependent and adsorbate-adsorbate interactions for the direct synthesis of H₂O₂ over Pd nanoparticles. ACS Catalysis. American Chemical Society. https://doi.org/10.1021/acscatal.3c03893","ieee":"J. Zhao, Z. Yao, R. Bunting, P. Hu, and J. Wang, “Microkinetic modeling with size-dependent and adsorbate-adsorbate interactions for the direct synthesis of H₂O₂ over Pd nanoparticles,” ACS Catalysis, vol. 13, no. 22. American Chemical Society, pp. 15054–15073, 2023.","chicago":"Zhao, Jinyan, Zihao Yao, Rhys Bunting, P. Hu, and Jianguo Wang. “Microkinetic Modeling with Size-Dependent and Adsorbate-Adsorbate Interactions for the Direct Synthesis of H₂O₂ over Pd Nanoparticles.” ACS Catalysis. American Chemical Society, 2023. https://doi.org/10.1021/acscatal.3c03893."},"date_updated":"2023-12-11T11:55:35Z","ddc":["540"],"volume":13,"acknowledgement":"The authors acknowledge the financial support from the National Natural Science Foundation of China (22008211, 92045303, U21A20298), the National Key Research and Development Project of China (2021YFA1500900, 2022YFE0113800), and Zhejiang Innovation Team (2017R5203).","month":"11","oa_version":"Published Version","has_accepted_license":"1","publication":"ACS Catalysis","language":[{"iso":"eng"}],"oa":1,"publication_identifier":{"eissn":["2155-5435"]},"type":"journal_article","date_published":"2023-11-06T00:00:00Z","tmp":{"legal_code_url":"https://creativecommons.org/licenses/by/4.0/legalcode","short":"CC BY (4.0)","image":"/images/cc_by.png","name":"Creative Commons Attribution 4.0 International Public License (CC-BY 4.0)"},"user_id":"2DF688A6-F248-11E8-B48F-1D18A9856A87","status":"public","file":[{"relation":"main_file","success":1,"access_level":"open_access","creator":"dernst","file_id":"14676","checksum":"a97c771077af71ddfb2249e34530895c","file_size":14813812,"date_created":"2023-12-11T11:55:09Z","file_name":"2023_ACSCatalysis_.pdf","content_type":"application/pdf","date_updated":"2023-12-11T11:55:09Z"}]},{"volume":15,"acknowledgement":"The authors acknowledge the support from the 2BoSS project of the ERA-MIN3 program with the Spanish grant number PCI2022-132985/AEI/10.13039/501100011033 and the French grant number ANR-22-MIN3-0003-01. J.L. acknowledges the support from the Natural Science Foundation of Sichuan Province 2022NSFSC1229. The authors acknowledge the funding from Generalitat de Catalunya 2021 SGR 01581 and European Union NextGenerationEU/PRTR. This research was supported by the Scientific Service Units (SSU) of ISTA Austria through resources provided by Electron Microscopy Facility (EMF) and the Nanofabrication Facility (NNF).","citation":{"mla":"Mollania, Hamid, et al. “Nanostructured Li₂S Cathodes for Silicon-Sulfur Batteries.” ACS Applied Materials and Interfaces, vol. 15, no. 50, American Chemical Society, 2023, pp. 58462–58475, doi:10.1021/acsami.3c14072.","short":"H. Mollania, C. Zhang, R. Du, X. Qi, J. Li, S. Horta, M. Ibáñez, C. Keller, P. Chenevier, M. Oloomi-Buygi, A. Cabot, ACS Applied Materials and Interfaces 15 (2023) 58462–58475.","ista":"Mollania H, Zhang C, Du R, Qi X, Li J, Horta S, Ibáñez M, Keller C, Chenevier P, Oloomi-Buygi M, Cabot A. 2023. Nanostructured Li₂S cathodes for silicon-sulfur batteries. ACS Applied Materials and Interfaces. 15(50), 58462–58475.","apa":"Mollania, H., Zhang, C., Du, R., Qi, X., Li, J., Horta, S., … Cabot, A. (2023). Nanostructured Li₂S cathodes for silicon-sulfur batteries. ACS Applied Materials and Interfaces. American Chemical Society. https://doi.org/10.1021/acsami.3c14072","ama":"Mollania H, Zhang C, Du R, et al. Nanostructured Li₂S cathodes for silicon-sulfur batteries. ACS Applied Materials and Interfaces. 2023;15(50):58462–58475. doi:10.1021/acsami.3c14072","chicago":"Mollania, Hamid, Chaoqi Zhang, Ruifeng Du, Xueqiang Qi, Junshan Li, Sharona Horta, Maria Ibáñez, et al. “Nanostructured Li₂S Cathodes for Silicon-Sulfur Batteries.” ACS Applied Materials and Interfaces. American Chemical Society, 2023. https://doi.org/10.1021/acsami.3c14072.","ieee":"H. Mollania et al., “Nanostructured Li₂S cathodes for silicon-sulfur batteries,” ACS Applied Materials and Interfaces, vol. 15, no. 50. American Chemical Society, pp. 58462–58475, 2023."},"year":"2023","date_updated":"2024-01-02T08:35:06Z","abstract":[{"text":"Lithium–sulfur batteries are regarded as an advantageous option for meeting the growing demand for high-energy-density storage, but their commercialization relies on solving the current limitations of both sulfur cathodes and lithium metal anodes. In this scenario, the implementation of lithium sulfide (Li2S) cathodes compatible with alternative anode materials such as silicon has the potential to alleviate the safety concerns associated with lithium metal. In this direction, here, we report a sulfur cathode based on Li2S nanocrystals grown on a catalytic host consisting of CoFeP nanoparticles supported on tubular carbon nitride. Nanosized Li2S is incorporated into the host by a scalable liquid infiltration–evaporation method. Theoretical calculations and experimental results demonstrate that the CoFeP–CN composite can boost the polysulfide adsorption/conversion reaction kinetics and strongly reduce the initial overpotential activation barrier by stretching the Li–S bonds of Li2S. Besides, the ultrasmall size of the Li2S particles in the Li2S–CoFeP–CN composite cathode facilitates the initial activation. Overall, the Li2S–CoFeP–CN electrodes exhibit a low activation barrier of 2.56 V, a high initial capacity of 991 mA h gLi2S–1, and outstanding cyclability with a small fading rate of 0.029% per cycle over 800 cycles. Moreover, Si/Li2S full cells are assembled using the nanostructured Li2S–CoFeP–CN cathode and a prelithiated anode based on graphite-supported silicon nanowires. These Si/Li2S cells demonstrate high initial discharge capacities above 900 mA h gLi2S–1 and good cyclability with a capacity fading rate of 0.28% per cycle over 150 cycles.","lang":"eng"}],"day":"05","doi":"10.1021/acsami.3c14072","quality_controlled":"1","page":"58462–58475","article_type":"original","publisher":"American Chemical Society","issue":"50","author":[{"full_name":"Mollania, Hamid","first_name":"Hamid","last_name":"Mollania"},{"last_name":"Zhang","first_name":"Chaoqi","full_name":"Zhang, Chaoqi"},{"full_name":"Du, Ruifeng","last_name":"Du","first_name":"Ruifeng"},{"first_name":"Xueqiang","last_name":"Qi","full_name":"Qi, Xueqiang"},{"full_name":"Li, Junshan","first_name":"Junshan","last_name":"Li"},{"id":"03a7e858-01b1-11ec-8b71-99ae6c4a05bc","full_name":"Horta, Sharona","last_name":"Horta","first_name":"Sharona"},{"last_name":"Ibáñez","first_name":"Maria","full_name":"Ibáñez, Maria","orcid":"0000-0001-5013-2843","id":"43C61214-F248-11E8-B48F-1D18A9856A87"},{"full_name":"Keller, Caroline","last_name":"Keller","first_name":"Caroline"},{"last_name":"Chenevier","first_name":"Pascale","full_name":"Chenevier, Pascale"},{"full_name":"Oloomi-Buygi, Majid","last_name":"Oloomi-Buygi","first_name":"Majid"},{"first_name":"Andreu","last_name":"Cabot","full_name":"Cabot, Andreu"}],"scopus_import":"1","_id":"14719","intvolume":" 15","title":"Nanostructured Li₂S cathodes for silicon-sulfur batteries","article_processing_charge":"No","department":[{"_id":"MaIb"}],"date_created":"2023-12-31T23:01:03Z","publication_status":"published","status":"public","user_id":"2DF688A6-F248-11E8-B48F-1D18A9856A87","type":"journal_article","date_published":"2023-12-05T00:00:00Z","publication_identifier":{"eissn":["1944-8252"],"issn":["1944-8244"]},"language":[{"iso":"eng"}],"publication":"ACS Applied Materials and Interfaces","month":"12","acknowledged_ssus":[{"_id":"EM-Fac"},{"_id":"NanoFab"}],"oa_version":"None"},{"acknowledgement":"Y.L. acknowledges funding from the National Natural Science Foundation of China (NSFC) (Grants No. 22209034), the Innovation and Entrepreneurship Project of Overseas Returnees in Anhui Province (Grant No. 2022LCX002). K.H.L. acknowledges financial support from the National Natural Science Foundation of China (NSFC) (Grant No. 22208293). M.I. acknowledges financial support from ISTA and the Werner Siemens Foundation.","user_id":"2DF688A6-F248-11E8-B48F-1D18A9856A87","status":"public","publication_identifier":{"eissn":["2366-9608"]},"day":"28","doi":"10.1002/smtd.202301377","abstract":[{"text":"Developing cost-effective and high-performance thermoelectric (TE) materials to assemble efficient TE devices presents a multitude of challenges and opportunities. Cu3SbSe4 is a promising p-type TE material based on relatively earth abundant elements. However, the challenge lies in its poor electrical conductivity. Herein, an efficient and scalable solution-based approach is developed to synthesize high-quality Cu3SbSe4 nanocrystals doped with Pb at the Sb site. After ligand displacement and annealing treatments, the dried powders are consolidated into dense pellets, and their TE properties are investigated. Pb doping effectively increases the charge carrier concentration, resulting in a significant increase in electrical conductivity, while the Seebeck coefficients remain consistently high. The calculated band structure shows that Pb doping induces band convergence, thereby increasing the effective mass. Furthermore, the large ionic radius of Pb2+ results in the generation of additional point and plane defects and interphases, dramatically enhancing phonon scattering, which significantly decreases the lattice thermal conductivity at high temperatures. Overall, a maximum figure of merit (zTmax) ≈ 0.85 at 653 K is obtained in Cu3Sb0.97Pb0.03Se4. This represents a 1.6-fold increase compared to the undoped sample and exceeds most doped Cu3SbSe4-based materials produced by solid-state, demonstrating advantages of versatility and cost-effectiveness using a solution-based technology.","lang":"eng"}],"year":"2023","citation":{"mla":"Wan, Shanhong, et al. “Band Engineering through Pb-Doping of Nanocrystal Building Blocks to Enhance Thermoelectric Performance in Cu3SbSe4.” Small Methods, Wiley, 2023, doi:10.1002/smtd.202301377.","short":"S. Wan, S. Xiao, M. Li, X. Wang, K.H. Lim, M. Hong, M. Ibáñez, A. Cabot, Y. Liu, Small Methods (2023).","ista":"Wan S, Xiao S, Li M, Wang X, Lim KH, Hong M, Ibáñez M, Cabot A, Liu Y. 2023. Band engineering through Pb-doping of nanocrystal building blocks to enhance thermoelectric performance in Cu3SbSe4. Small Methods.","apa":"Wan, S., Xiao, S., Li, M., Wang, X., Lim, K. H., Hong, M., … Liu, Y. (2023). Band engineering through Pb-doping of nanocrystal building blocks to enhance thermoelectric performance in Cu3SbSe4. Small Methods. Wiley. https://doi.org/10.1002/smtd.202301377","ama":"Wan S, Xiao S, Li M, et al. Band engineering through Pb-doping of nanocrystal building blocks to enhance thermoelectric performance in Cu3SbSe4. Small Methods. 2023. doi:10.1002/smtd.202301377","ieee":"S. Wan et al., “Band engineering through Pb-doping of nanocrystal building blocks to enhance thermoelectric performance in Cu3SbSe4,” Small Methods. Wiley, 2023.","chicago":"Wan, Shanhong, Shanshan Xiao, Mingquan Li, Xin Wang, Khak Ho Lim, Min Hong, Maria Ibáñez, Andreu Cabot, and Yu Liu. “Band Engineering through Pb-Doping of Nanocrystal Building Blocks to Enhance Thermoelectric Performance in Cu3SbSe4.” Small Methods. Wiley, 2023. https://doi.org/10.1002/smtd.202301377."},"date_updated":"2024-01-08T09:17:04Z","external_id":{"pmid":["38152986"]},"type":"journal_article","date_published":"2023-12-28T00:00:00Z","publisher":"Wiley","article_type":"original","quality_controlled":"1","language":[{"iso":"eng"}],"article_processing_charge":"No","date_created":"2024-01-07T23:00:51Z","project":[{"name":"HighTE: The Werner Siemens Laboratory for the High Throughput Discovery of Semiconductors for Waste Heat Recovery","_id":"9B8F7476-BA93-11EA-9121-9846C619BF3A"}],"department":[{"_id":"MaIb"}],"oa_version":"None","publication_status":"epub_ahead","title":"Band engineering through Pb-doping of nanocrystal building blocks to enhance thermoelectric performance in Cu3SbSe4","month":"12","scopus_import":"1","_id":"14734","pmid":1,"publication":"Small Methods","author":[{"first_name":"Shanhong","last_name":"Wan","full_name":"Wan, Shanhong"},{"first_name":"Shanshan","last_name":"Xiao","full_name":"Xiao, Shanshan"},{"first_name":"Mingquan","last_name":"Li","full_name":"Li, Mingquan"},{"last_name":"Wang","first_name":"Xin","full_name":"Wang, Xin"},{"full_name":"Lim, Khak Ho","first_name":"Khak Ho","last_name":"Lim"},{"first_name":"Min","last_name":"Hong","full_name":"Hong, Min"},{"last_name":"Ibáñez","first_name":"Maria","full_name":"Ibáñez, Maria","orcid":"0000-0001-5013-2843","id":"43C61214-F248-11E8-B48F-1D18A9856A87"},{"full_name":"Cabot, Andreu","last_name":"Cabot","first_name":"Andreu"},{"id":"2A70014E-F248-11E8-B48F-1D18A9856A87","first_name":"Yu","last_name":"Liu","orcid":"0000-0001-7313-6740","full_name":"Liu, Yu"}]},{"file":[{"relation":"main_file","success":1,"access_level":"open_access","file_id":"14792","creator":"dernst","date_created":"2024-01-10T13:47:31Z","checksum":"a7098388b8ff822b47f5ddd37ed3bdbc","file_size":9676071,"date_updated":"2024-01-10T13:47:31Z","content_type":"application/pdf","file_name":"2023_AIPAdvances_Sato.pdf"}],"status":"public","user_id":"2DF688A6-F248-11E8-B48F-1D18A9856A87","publication_identifier":{"eissn":["2158-3226"]},"oa":1,"tmp":{"legal_code_url":"https://creativecommons.org/licenses/by/4.0/legalcode","short":"CC BY (4.0)","image":"/images/cc_by.png","name":"Creative Commons Attribution 4.0 International Public License (CC-BY 4.0)"},"type":"journal_article","date_published":"2023-12-01T00:00:00Z","keyword":["General Physics and Astronomy"],"language":[{"iso":"eng"}],"oa_version":"Published Version","article_number":"125206","month":"12","has_accepted_license":"1","publication":"AIP Advances","acknowledgement":"This work received financial support partially from Japan Science and Technology Agency (JST) CREST Grant No. JPMJCR18I2, Japan. The powder-XRD experiments were conducted at BL5S2 of Aichi Synchrotron Radiation Center, Aichi Science & Technology Foundation, Aichi, Japan (Proposal No. 202301057).","volume":13,"ddc":["540"],"day":"01","doi":"10.1063/5.0171888","abstract":[{"lang":"eng","text":"The effects of the partial V-substitution for Ag on the thermoelectric (TE) properties are investigated for a flexible semiconducting compound Ag2S0.55Se0.45. Density functional theory calculations predict that such a partial V-substitution constructively modifies the electronic structure near the bottom of the conduction band to improve the TE performance. The synthesized Ag1.97V0.03S0.55Se0.45 is found to possess a TE dimensionless figure-of-merit (ZT) of 0.71 at 350 K with maintaining its flexible nature. This ZT value is relatively high in comparison with those reported for flexible TE materials below 360 K. The increase in the ZT value is caused by the enhanced absolute value of the Seebeck coefficient with less significant variation in electrical resistivity. The high ZT value with the flexible nature naturally allows us to employ the Ag1.97V0.03S0.55Se0.45 as a component of flexible TE generators."}],"citation":{"ista":"Sato K, Singh S, Yamazaki I, Hirata K, Ang AKR, Matsunami M, Takeuchi T. 2023. Improvement of thermoelectric performance of flexible compound Ag2S0.55Se0.45 by means of partial V-substitution for Ag. AIP Advances. 13(12), 125206.","short":"K. Sato, S. Singh, I. Yamazaki, K. Hirata, A.K.R. Ang, M. Matsunami, T. Takeuchi, AIP Advances 13 (2023).","mla":"Sato, Kosuke, et al. “Improvement of Thermoelectric Performance of Flexible Compound Ag2S0.55Se0.45 by Means of Partial V-Substitution for Ag.” AIP Advances, vol. 13, no. 12, 125206, AIP Publishing, 2023, doi:10.1063/5.0171888.","chicago":"Sato, Kosuke, Saurabh Singh, Itsuki Yamazaki, Keisuke Hirata, Artoni Kevin R. Ang, Masaharu Matsunami, and Tsunehiro Takeuchi. “Improvement of Thermoelectric Performance of Flexible Compound Ag2S0.55Se0.45 by Means of Partial V-Substitution for Ag.” AIP Advances. AIP Publishing, 2023. https://doi.org/10.1063/5.0171888.","ieee":"K. Sato et al., “Improvement of thermoelectric performance of flexible compound Ag2S0.55Se0.45 by means of partial V-substitution for Ag,” AIP Advances, vol. 13, no. 12. AIP Publishing, 2023.","apa":"Sato, K., Singh, S., Yamazaki, I., Hirata, K., Ang, A. K. R., Matsunami, M., & Takeuchi, T. (2023). Improvement of thermoelectric performance of flexible compound Ag2S0.55Se0.45 by means of partial V-substitution for Ag. AIP Advances. AIP Publishing. https://doi.org/10.1063/5.0171888","ama":"Sato K, Singh S, Yamazaki I, et al. Improvement of thermoelectric performance of flexible compound Ag2S0.55Se0.45 by means of partial V-substitution for Ag. AIP Advances. 2023;13(12). doi:10.1063/5.0171888"},"year":"2023","date_updated":"2024-01-10T13:49:09Z","external_id":{"isi":["001114917200005"]},"isi":1,"publisher":"AIP Publishing","article_type":"original","quality_controlled":"1","file_date_updated":"2024-01-10T13:47:31Z","article_processing_charge":"Yes","date_created":"2024-01-10T09:26:08Z","department":[{"_id":"MaIb"}],"publication_status":"published","intvolume":" 13","title":"Improvement of thermoelectric performance of flexible compound Ag2S0.55Se0.45 by means of partial V-substitution for Ag","_id":"14777","issue":"12","author":[{"full_name":"Sato, Kosuke","first_name":"Kosuke","last_name":"Sato"},{"full_name":"Singh, Saurabh","orcid":"0000-0003-2209-5269","last_name":"Singh","first_name":"Saurabh","id":"12d625da-9cb3-11ed-9667-af09d37d3f0a"},{"first_name":"Itsuki","last_name":"Yamazaki","full_name":"Yamazaki, Itsuki"},{"full_name":"Hirata, Keisuke","first_name":"Keisuke","last_name":"Hirata"},{"first_name":"Artoni Kevin R.","last_name":"Ang","full_name":"Ang, Artoni Kevin R."},{"full_name":"Matsunami, Masaharu","last_name":"Matsunami","first_name":"Masaharu"},{"full_name":"Takeuchi, Tsunehiro","last_name":"Takeuchi","first_name":"Tsunehiro"}]},{"language":[{"iso":"eng"}],"publication":"Interdisciplinary Materials","has_accepted_license":"1","oa_version":"Published Version","month":"01","file":[{"date_created":"2024-02-19T09:58:32Z","checksum":"7b5e8210ef1434feb173022c6dbbee0c","file_size":4675941,"date_updated":"2024-02-19T09:58:32Z","file_name":"2023_InterdiscMaterials_Liu.pdf","content_type":"application/pdf","success":1,"relation":"main_file","access_level":"open_access","file_id":"15015","creator":"dernst"}],"user_id":"2DF688A6-F248-11E8-B48F-1D18A9856A87","status":"public","tmp":{"legal_code_url":"https://creativecommons.org/licenses/by/4.0/legalcode","short":"CC BY (4.0)","image":"/images/cc_by.png","name":"Creative Commons Attribution 4.0 International Public License (CC-BY 4.0)"},"date_published":"2023-01-01T00:00:00Z","type":"journal_article","publication_identifier":{"eissn":["2767-441X"]},"oa":1,"page":"161-170","quality_controlled":"1","file_date_updated":"2024-02-19T09:58:32Z","publisher":"Wiley","article_type":"original","_id":"14985","author":[{"full_name":"Liu, Zhengtao","last_name":"Liu","first_name":"Zhengtao"},{"full_name":"Hong, Tao","first_name":"Tao","last_name":"Hong"},{"last_name":"Xu","first_name":"Liqing","full_name":"Xu, Liqing"},{"full_name":"Wang, Sining","last_name":"Wang","first_name":"Sining"},{"last_name":"Gao","first_name":"Xiang","full_name":"Gao, Xiang"},{"id":"9E331C2E-9F27-11E9-AE48-5033E6697425","full_name":"Chang, Cheng","orcid":"0000-0002-9515-4277","last_name":"Chang","first_name":"Cheng"},{"first_name":"Xiangdong","last_name":"Ding","full_name":"Ding, Xiangdong"},{"first_name":"Yu","last_name":"Xiao","full_name":"Xiao, Yu"},{"full_name":"Zhao, Li‐Dong","first_name":"Li‐Dong","last_name":"Zhao"}],"issue":"1","publication_status":"published","department":[{"_id":"MaIb"}],"article_processing_charge":"Yes","date_created":"2024-02-14T12:12:17Z","title":"Lattice expansion enables interstitial doping to achieve a high average ZT in n‐type PbS","intvolume":" 2","volume":2,"acknowledgement":"The authors would like to acknowledge the strong supportof microstructure observation from Center for HighPressure Science and Technology Advanced Research(HPSTAR). We acknowledge the financial support fromthe National Natural Science Foundation of China:52172236, the Fundamental Research Funds for theCentral Universities: xtr042021007, Top Young TalentsProgramme of Xi'an Jiaotong University and NationalScience Fund for Distinguished Young Scholars: 51925101.","ddc":["540"],"date_updated":"2024-02-19T10:01:26Z","citation":{"ista":"Liu Z, Hong T, Xu L, Wang S, Gao X, Chang C, Ding X, Xiao Y, Zhao L. 2023. Lattice expansion enables interstitial doping to achieve a high average ZT in n‐type PbS. Interdisciplinary Materials. 2(1), 161–170.","mla":"Liu, Zhengtao, et al. “Lattice Expansion Enables Interstitial Doping to Achieve a High Average ZT in N‐type PbS.” Interdisciplinary Materials, vol. 2, no. 1, Wiley, 2023, pp. 161–70, doi:10.1002/idm2.12056.","short":"Z. Liu, T. Hong, L. Xu, S. Wang, X. Gao, C. Chang, X. Ding, Y. Xiao, L. Zhao, Interdisciplinary Materials 2 (2023) 161–170.","chicago":"Liu, Zhengtao, Tao Hong, Liqing Xu, Sining Wang, Xiang Gao, Cheng Chang, Xiangdong Ding, Yu Xiao, and Li‐Dong Zhao. “Lattice Expansion Enables Interstitial Doping to Achieve a High Average ZT in N‐type PbS.” Interdisciplinary Materials. Wiley, 2023. https://doi.org/10.1002/idm2.12056.","ieee":"Z. Liu et al., “Lattice expansion enables interstitial doping to achieve a high average ZT in n‐type PbS,” Interdisciplinary Materials, vol. 2, no. 1. Wiley, pp. 161–170, 2023.","ama":"Liu Z, Hong T, Xu L, et al. Lattice expansion enables interstitial doping to achieve a high average ZT in n‐type PbS. Interdisciplinary Materials. 2023;2(1):161-170. doi:10.1002/idm2.12056","apa":"Liu, Z., Hong, T., Xu, L., Wang, S., Gao, X., Chang, C., … Zhao, L. (2023). Lattice expansion enables interstitial doping to achieve a high average ZT in n‐type PbS. Interdisciplinary Materials. Wiley. https://doi.org/10.1002/idm2.12056"},"year":"2023","doi":"10.1002/idm2.12056","day":"01","abstract":[{"lang":"eng","text":"Lead sulfide (PbS) presents large potential in thermoelectric application due to its earth-abundant S element. However, its inferior average ZT (ZTave) value makes PbS less competitive with its analogs PbTe and PbSe. To promote its thermoelectric performance, this study implements strategies of continuous Se alloying and Cu interstitial doping to synergistically tune thermal and electrical transport properties in n-type PbS. First, the lattice parameter of 5.93 Å in PbS is linearly expanded to 6.03 Å in PbS0.5Se0.5 with increasing Se alloying content. This expanded lattice in Se-alloyed PbS not only intensifies phonon scattering but also facilitates the formation of Cu interstitials. Based on the PbS0.6Se0.4 content with the minimal lattice thermal conductivity, Cu interstitials are introduced to improve the electron density, thus boosting the peak power factor, from 3.88 μW cm−1 K−2 in PbS0.6Se0.4 to 20.58 μW cm−1 K−2 in PbS0.6Se0.4−1%Cu. Meanwhile, the lattice thermal conductivity in PbS0.6Se0.4−x%Cu (x = 0–2) is further suppressed due to the strong strain field caused by Cu interstitials. Finally, with the lowered thermal conductivity and high electrical transport properties, a peak ZT ~1.1 and ZTave ~0.82 can be achieved in PbS0.6Se0.4 − 1%Cu at 300–773K, which outperforms previously reported n-type PbS."}]},{"quality_controlled":"1","page":"23380–23389","file_date_updated":"2023-05-30T07:38:44Z","publisher":"American Chemical Society","article_type":"original","scopus_import":"1","_id":"13092","pmid":1,"issue":"19","author":[{"full_name":"Nan, Bingfei","last_name":"Nan","first_name":"Bingfei"},{"first_name":"Xuan","last_name":"Song","full_name":"Song, Xuan"},{"id":"9E331C2E-9F27-11E9-AE48-5033E6697425","full_name":"Chang, Cheng","orcid":"0000-0002-9515-4277","last_name":"Chang","first_name":"Cheng"},{"full_name":"Xiao, Ke","last_name":"Xiao","first_name":"Ke"},{"full_name":"Zhang, Yu","last_name":"Zhang","first_name":"Yu"},{"last_name":"Yang","first_name":"Linlin","full_name":"Yang, Linlin"},{"id":"03a7e858-01b1-11ec-8b71-99ae6c4a05bc","full_name":"Horta, Sharona","first_name":"Sharona","last_name":"Horta"},{"first_name":"Junshan","last_name":"Li","full_name":"Li, Junshan"},{"first_name":"Khak Ho","last_name":"Lim","full_name":"Lim, Khak Ho"},{"full_name":"Ibáñez, Maria","orcid":"0000-0001-5013-2843","last_name":"Ibáñez","first_name":"Maria","id":"43C61214-F248-11E8-B48F-1D18A9856A87"},{"first_name":"Andreu","last_name":"Cabot","full_name":"Cabot, Andreu"}],"article_processing_charge":"No","date_created":"2023-05-28T22:01:03Z","department":[{"_id":"MaIb"}],"publication_status":"published","intvolume":" 15","title":"Bottom-up synthesis of SnTe-based thermoelectric composites","volume":15,"acknowledgement":"Open Access is funded by the Austrian Science Fund (FWF). We thank Generalitat de Catalunya AGAUR─2021 SGR 01581 for financial support. B.F.N., K.X., and L.L.Y. thank the China Scholarship Council (CSC) for the scholarship support. C.C. acknowledges funding from the FWF “Lise Meitner Fellowship” grant agreement M 2889-N. J.S.L is grateful to the Science and Technology Department of Sichuan Province for the project no. 22NSFSC0966. K.H.L. was supported by the Institute of Zhejiang University-Quzhou (IZQ2021RCZX003). M.I. acknowledges the financial support from IST Austria.","ddc":["540"],"citation":{"ama":"Nan B, Song X, Chang C, et al. Bottom-up synthesis of SnTe-based thermoelectric composites. ACS Applied Materials and Interfaces. 2023;15(19):23380–23389. doi:10.1021/acsami.3c00625","apa":"Nan, B., Song, X., Chang, C., Xiao, K., Zhang, Y., Yang, L., … Cabot, A. (2023). Bottom-up synthesis of SnTe-based thermoelectric composites. ACS Applied Materials and Interfaces. American Chemical Society. https://doi.org/10.1021/acsami.3c00625","chicago":"Nan, Bingfei, Xuan Song, Cheng Chang, Ke Xiao, Yu Zhang, Linlin Yang, Sharona Horta, et al. “Bottom-up Synthesis of SnTe-Based Thermoelectric Composites.” ACS Applied Materials and Interfaces. American Chemical Society, 2023. https://doi.org/10.1021/acsami.3c00625.","ieee":"B. Nan et al., “Bottom-up synthesis of SnTe-based thermoelectric composites,” ACS Applied Materials and Interfaces, vol. 15, no. 19. American Chemical Society, pp. 23380–23389, 2023.","short":"B. Nan, X. Song, C. Chang, K. Xiao, Y. Zhang, L. Yang, S. Horta, J. Li, K.H. Lim, M. Ibáñez, A. Cabot, ACS Applied Materials and Interfaces 15 (2023) 23380–23389.","mla":"Nan, Bingfei, et al. “Bottom-up Synthesis of SnTe-Based Thermoelectric Composites.” ACS Applied Materials and Interfaces, vol. 15, no. 19, American Chemical Society, 2023, pp. 23380–23389, doi:10.1021/acsami.3c00625.","ista":"Nan B, Song X, Chang C, Xiao K, Zhang Y, Yang L, Horta S, Li J, Lim KH, Ibáñez M, Cabot A. 2023. Bottom-up synthesis of SnTe-based thermoelectric composites. ACS Applied Materials and Interfaces. 15(19), 23380–23389."},"year":"2023","date_updated":"2023-08-01T14:50:09Z","external_id":{"pmid":["37141543"],"isi":["000985497900001"]},"isi":1,"day":"04","doi":"10.1021/acsami.3c00625","abstract":[{"text":"There is a need for the development of lead-free thermoelectric materials for medium-/high-temperature applications. Here, we report a thiol-free tin telluride (SnTe) precursor that can be thermally decomposed to produce SnTe crystals with sizes ranging from tens to several hundreds of nanometers. We further engineer SnTe–Cu2SnTe3 nanocomposites with a homogeneous phase distribution by decomposing the liquid SnTe precursor containing a dispersion of Cu1.5Te colloidal nanoparticles. The presence of Cu within the SnTe and the segregated semimetallic Cu2SnTe3 phase effectively improves the electrical conductivity of SnTe while simultaneously reducing the lattice thermal conductivity without compromising the Seebeck coefficient. Overall, power factors up to 3.63 mW m–1 K–2 and thermoelectric figures of merit up to 1.04 are obtained at 823 K, which represent a 167% enhancement compared with pristine SnTe.","lang":"eng"}],"language":[{"iso":"eng"}],"has_accepted_license":"1","publication":"ACS Applied Materials and Interfaces","project":[{"_id":"9B8804FC-BA93-11EA-9121-9846C619BF3A","name":"Bottom-up Engineering for Thermoelectric Applications","grant_number":"M02889"}],"oa_version":"Published Version","month":"05","file":[{"relation":"main_file","access_level":"open_access","success":1,"file_id":"13099","creator":"dernst","date_created":"2023-05-30T07:38:44Z","file_size":5640829,"checksum":"23893be46763c4c78daacddd019de821","date_updated":"2023-05-30T07:38:44Z","content_type":"application/pdf","file_name":"2023_ACSAppliedMaterials_Nan.pdf"}],"status":"public","user_id":"4359f0d1-fa6c-11eb-b949-802e58b17ae8","tmp":{"legal_code_url":"https://creativecommons.org/licenses/by/4.0/legalcode","short":"CC BY (4.0)","image":"/images/cc_by.png","name":"Creative Commons Attribution 4.0 International Public License (CC-BY 4.0)"},"type":"journal_article","date_published":"2023-05-04T00:00:00Z","publication_identifier":{"eissn":["1944-8252"],"issn":["1944-8244"]},"oa":1},{"year":"2023","citation":{"ista":"Nan B, Li M, Zhang Y, Xiao K, Lim KH, Chang C, Han X, Zuo Y, Li J, Arbiol J, Llorca J, Ibáñez M, Cabot A. 2023. Engineering of thermoelectric composites based on silver selenide in aqueous solution and ambient temperature. ACS Applied Electronic Materials.","short":"B. Nan, M. Li, Y. Zhang, K. Xiao, K.H. Lim, C. Chang, X. Han, Y. Zuo, J. Li, J. Arbiol, J. Llorca, M. Ibáñez, A. Cabot, ACS Applied Electronic Materials (2023).","mla":"Nan, Bingfei, et al. “Engineering of Thermoelectric Composites Based on Silver Selenide in Aqueous Solution and Ambient Temperature.” ACS Applied Electronic Materials, American Chemical Society, 2023, doi:10.1021/acsaelm.3c00055.","chicago":"Nan, Bingfei, Mengyao Li, Yu Zhang, Ke Xiao, Khak Ho Lim, Cheng Chang, Xu Han, et al. “Engineering of Thermoelectric Composites Based on Silver Selenide in Aqueous Solution and Ambient Temperature.” ACS Applied Electronic Materials. American Chemical Society, 2023. https://doi.org/10.1021/acsaelm.3c00055.","ieee":"B. Nan et al., “Engineering of thermoelectric composites based on silver selenide in aqueous solution and ambient temperature,” ACS Applied Electronic Materials. American Chemical Society, 2023.","apa":"Nan, B., Li, M., Zhang, Y., Xiao, K., Lim, K. H., Chang, C., … Cabot, A. (2023). Engineering of thermoelectric composites based on silver selenide in aqueous solution and ambient temperature. ACS Applied Electronic Materials. American Chemical Society. https://doi.org/10.1021/acsaelm.3c00055","ama":"Nan B, Li M, Zhang Y, et al. Engineering of thermoelectric composites based on silver selenide in aqueous solution and ambient temperature. ACS Applied Electronic Materials. 2023. doi:10.1021/acsaelm.3c00055"},"date_updated":"2023-08-01T14:50:48Z","external_id":{"isi":["000986859000001"]},"isi":1,"day":"05","doi":"10.1021/acsaelm.3c00055","abstract":[{"text":"The direct, solid state, and reversible conversion between heat and electricity using thermoelectric devices finds numerous potential uses, especially around room temperature. However, the relatively high material processing cost limits their real applications. Silver selenide (Ag2Se) is one of the very few n-type thermoelectric (TE) materials for room-temperature applications. Herein, we report a room temperature, fast, and aqueous-phase synthesis approach to produce Ag2Se, which can be extended to other metal chalcogenides. These materials reach TE figures of merit (zT) of up to 0.76 at 380 K. To improve these values, bismuth sulfide (Bi2S3) particles also prepared in an aqueous solution are incorporated into the Ag2Se matrix. In this way, a series of Ag2Se/Bi2S3 composites with Bi2S3 wt % of 0.5, 1.0, and 1.5 are prepared by solution blending and hot-press sintering. The presence of Bi2S3 significantly improves the Seebeck coefficient and power factor while at the same time decreasing the thermal conductivity with no apparent drop in electrical conductivity. Thus, a maximum zT value of 0.96 is achieved in the composites with 1.0 wt % Bi2S3 at 370 K. Furthermore, a high average zT value (zTave) of 0.93 in the 300–390 K range is demonstrated.","lang":"eng"}],"acknowledgement":"Open Access is funded by the Austrian Science Fund (FWF). B.N., M.L., Y.Z., K.X., and X.H. thank the China Scholarship Council (CSC) for the scholarship support. C.C. received funding from the FWF “Lise Meitner Fellowship” grant agreement M 2889-N. M.I. acknowledges the financial support from ISTA and the Werner Siemens Foundation. ICN2 acknowledges funding from Generalitat de Catalunya 2021SGR00457 and project NANOGEN (PID2020-116093RB-C43) funded by MCIN/AEI/10.13039/501100011033/. ICN2 was supported by the Severo Ochoa program from Spanish MCIN/AEI (Grant No.: CEX2021-001214-S) and was funded by the CERCA Programme/Generalitat de Catalunya. J.L. is a Serra Húnter Fellow and is grateful to the ICREA Academia program and projects MICINN/FEDER PID2021-124572OB-C31 and 2021 SGR 01061. K.H.L. acknowledges support from the National Natural Science Foundation of China (22208293). This study is part of the Advanced Materials programme and was supported by MCIN with funding from European Union NextGenerationEU (PRTR-C17.I1) and by Generalitat de Catalunya.","scopus_import":"1","_id":"13093","author":[{"last_name":"Nan","first_name":"Bingfei","full_name":"Nan, Bingfei"},{"full_name":"Li, Mengyao","last_name":"Li","first_name":"Mengyao"},{"full_name":"Zhang, Yu","last_name":"Zhang","first_name":"Yu"},{"first_name":"Ke","last_name":"Xiao","full_name":"Xiao, Ke"},{"first_name":"Khak Ho","last_name":"Lim","full_name":"Lim, Khak Ho"},{"first_name":"Cheng","last_name":"Chang","orcid":"0000-0002-9515-4277","full_name":"Chang, Cheng","id":"9E331C2E-9F27-11E9-AE48-5033E6697425"},{"last_name":"Han","first_name":"Xu","full_name":"Han, Xu"},{"full_name":"Zuo, Yong","first_name":"Yong","last_name":"Zuo"},{"full_name":"Li, Junshan","last_name":"Li","first_name":"Junshan"},{"full_name":"Arbiol, Jordi","first_name":"Jordi","last_name":"Arbiol"},{"first_name":"Jordi","last_name":"Llorca","full_name":"Llorca, Jordi"},{"first_name":"Maria","last_name":"Ibáñez","orcid":"0000-0001-5013-2843","full_name":"Ibáñez, Maria","id":"43C61214-F248-11E8-B48F-1D18A9856A87"},{"first_name":"Andreu","last_name":"Cabot","full_name":"Cabot, Andreu"}],"article_processing_charge":"No","department":[{"_id":"MaIb"}],"date_created":"2023-05-28T22:01:03Z","publication_status":"epub_ahead","title":"Engineering of thermoelectric composites based on silver selenide in aqueous solution and ambient temperature","quality_controlled":"1","publisher":"American Chemical Society","article_type":"original","type":"journal_article","date_published":"2023-05-05T00:00:00Z","publication_identifier":{"eissn":["2637-6113"]},"oa":1,"main_file_link":[{"open_access":"1","url":"https://doi.org/10.1021/acsaelm.3c00055"}],"status":"public","user_id":"4359f0d1-fa6c-11eb-b949-802e58b17ae8","publication":"ACS Applied Electronic Materials","project":[{"grant_number":"M02889","name":"Bottom-up Engineering for Thermoelectric Applications","_id":"9B8804FC-BA93-11EA-9121-9846C619BF3A"},{"_id":"9B8F7476-BA93-11EA-9121-9846C619BF3A","name":"HighTE: The Werner Siemens Laboratory for the High Throughput Discovery of Semiconductors for Waste Heat Recovery"}],"oa_version":"Published Version","month":"05","language":[{"iso":"eng"}]},{"publisher":"American Chemical Society","article_type":"original","quality_controlled":"1","page":"14894-14902","file_date_updated":"2023-07-12T10:22:04Z","date_created":"2023-07-12T09:16:40Z","department":[{"_id":"MaIb"},{"_id":"BiCh"}],"article_processing_charge":"Yes (via OA deal)","publication_status":"published","intvolume":" 145","title":"Reactivity of single-atom alloy nanoparticles: Modeling the dehydrogenation of propane","pmid":1,"_id":"13216","issue":"27","author":[{"id":"91deeae8-1207-11ec-b130-c194ad5b50c6","orcid":"0000-0001-6928-074X","full_name":"Bunting, Rhys","first_name":"Rhys","last_name":"Bunting"},{"id":"8b4b6a9f-32b0-11ee-9fa8-bbe85e26258e","orcid":"0009-0000-1457-795X","full_name":"Wodaczek, Felix","first_name":"Felix","last_name":"Wodaczek"},{"last_name":"Torabi","first_name":"Tina","full_name":"Torabi, Tina"},{"id":"cbe3cda4-d82c-11eb-8dc7-8ff94289fcc9","first_name":"Bingqing","last_name":"Cheng","orcid":"0000-0002-3584-9632","full_name":"Cheng, Bingqing"}],"acknowledgement":"B.C. acknowledges resources provided by the Cambridge Tier2 system operated by the University of Cambridge Research\r\nComputing Service funded by EPSRC Tier-2 capital grant EP/\r\nP020259/1.","volume":145,"ddc":["540"],"day":"30","doi":"10.1021/jacs.3c04030","abstract":[{"text":"Physical catalysts often have multiple sites where reactions can take place. One prominent example is single-atom alloys, where the reactive dopant atoms can preferentially locate in the bulk or at different sites on the surface of the nanoparticle. However, ab initio modeling of catalysts usually only considers one site of the catalyst, neglecting the effects of multiple sites. Here, nanoparticles of copper doped with single-atom rhodium or palladium are modeled for the dehydrogenation of propane. Single-atom alloy nanoparticles are simulated at 400–600 K, using machine learning potentials trained on density functional theory calculations, and then the occupation of different single-atom active sites is identified using a similarity kernel. Further, the turnover frequency for all possible sites is calculated for propane dehydrogenation to propene through microkinetic modeling using density functional theory calculations. The total turnover frequencies of the whole nanoparticle are then described from both the population and the individual turnover frequency of each site. Under operating conditions, rhodium as a dopant is found to almost exclusively occupy (111) surface sites while palladium as a dopant occupies a greater variety of facets. Undercoordinated dopant surface sites are found to tend to be more reactive for propane dehydrogenation compared to the (111) surface. It is found that considering the dynamics of the single-atom alloy nanoparticle has a profound effect on the calculated catalytic activity of single-atom alloys by several orders of magnitude.","lang":"eng"}],"citation":{"mla":"Bunting, Rhys, et al. “Reactivity of Single-Atom Alloy Nanoparticles: Modeling the Dehydrogenation of Propane.” Journal of the American Chemical Society, vol. 145, no. 27, American Chemical Society, 2023, pp. 14894–902, doi:10.1021/jacs.3c04030.","short":"R. Bunting, F. Wodaczek, T. Torabi, B. Cheng, Journal of the American Chemical Society 145 (2023) 14894–14902.","ista":"Bunting R, Wodaczek F, Torabi T, Cheng B. 2023. Reactivity of single-atom alloy nanoparticles: Modeling the dehydrogenation of propane. Journal of the American Chemical Society. 145(27), 14894–14902.","apa":"Bunting, R., Wodaczek, F., Torabi, T., & Cheng, B. (2023). Reactivity of single-atom alloy nanoparticles: Modeling the dehydrogenation of propane. Journal of the American Chemical Society. American Chemical Society. https://doi.org/10.1021/jacs.3c04030","ama":"Bunting R, Wodaczek F, Torabi T, Cheng B. Reactivity of single-atom alloy nanoparticles: Modeling the dehydrogenation of propane. Journal of the American Chemical Society. 2023;145(27):14894-14902. doi:10.1021/jacs.3c04030","chicago":"Bunting, Rhys, Felix Wodaczek, Tina Torabi, and Bingqing Cheng. “Reactivity of Single-Atom Alloy Nanoparticles: Modeling the Dehydrogenation of Propane.” Journal of the American Chemical Society. American Chemical Society, 2023. https://doi.org/10.1021/jacs.3c04030.","ieee":"R. Bunting, F. Wodaczek, T. Torabi, and B. Cheng, “Reactivity of single-atom alloy nanoparticles: Modeling the dehydrogenation of propane,” Journal of the American Chemical Society, vol. 145, no. 27. American Chemical Society, pp. 14894–14902, 2023."},"year":"2023","date_updated":"2023-10-11T08:45:10Z","external_id":{"pmid":["37390457"],"isi":["001020623900001"]},"isi":1,"keyword":["Colloid and Surface Chemistry","Biochemistry","General Chemistry","Catalysis"],"language":[{"iso":"eng"}],"oa_version":"Published Version","month":"06","has_accepted_license":"1","publication":"Journal of the American Chemical Society","file":[{"access_level":"open_access","relation":"main_file","success":1,"file_id":"13219","creator":"cchlebak","date_created":"2023-07-12T10:22:04Z","file_size":3155843,"checksum":"e07d5323f9c0e5cbd1ad6453f29440ab","date_updated":"2023-07-12T10:22:04Z","file_name":"2023_JACS_Bunting.pdf","content_type":"application/pdf"}],"user_id":"8b945eb4-e2f2-11eb-945a-df72226e66a9","status":"public","publication_identifier":{"eissn":["1520-5126"],"issn":["0002-7863"]},"oa":1,"tmp":{"legal_code_url":"https://creativecommons.org/licenses/by/4.0/legalcode","short":"CC BY (4.0)","image":"/images/cc_by.png","name":"Creative Commons Attribution 4.0 International Public License (CC-BY 4.0)"},"type":"journal_article","date_published":"2023-06-30T00:00:00Z"},{"status":"public","user_id":"4359f0d1-fa6c-11eb-b949-802e58b17ae8","date_published":"2023-06-13T00:00:00Z","type":"journal_article","publication_identifier":{"eissn":["1936-086X"],"issn":["1936-0851"]},"language":[{"iso":"eng"}],"publication":"ACS Nano","oa_version":"None","project":[{"name":"HighTE: The Werner Siemens Laboratory for the High Throughput Discovery of Semiconductors for Waste Heat Recovery","_id":"9B8F7476-BA93-11EA-9121-9846C619BF3A"}],"month":"06","acknowledgement":"Y.L. acknowledges funding from the National Natural Science Foundation of China (NSFC) (Grants No. 22209034), the Innovation and Entrepreneurship Project of Overseas Returnees in Anhui Province (Grant No. 2022LCX002). K.H.L. acknowledges financial support from the National Natural Science Foundation of China (Grant No. 22208293). Y.Z. acknowledges support from the SBIR program NanoOhmics. J.L. is grateful for the project supported by the Natural Science Foundation of Sichuan (2022NSFSC1229). M.I. acknowledges financial support from ISTA and the Werner Siemens Foundation.","volume":17,"date_updated":"2023-08-02T06:29:55Z","citation":{"ieee":"Y. Liu et al., “Surface chemistry and band engineering in AgSbSe₂: Toward high thermoelectric performance,” ACS Nano, vol. 17, no. 12. American Chemical Society, pp. 11923–11934, 2023.","chicago":"Liu, Yu, Mingquan Li, Shanhong Wan, Khak Ho Lim, Yu Zhang, Mengyao Li, Junshan Li, Maria Ibáñez, Min Hong, and Andreu Cabot. “Surface Chemistry and Band Engineering in AgSbSe₂: Toward High Thermoelectric Performance.” ACS Nano. American Chemical Society, 2023. https://doi.org/10.1021/acsnano.3c03541.","ama":"Liu Y, Li M, Wan S, et al. Surface chemistry and band engineering in AgSbSe₂: Toward high thermoelectric performance. ACS Nano. 2023;17(12):11923–11934. doi:10.1021/acsnano.3c03541","apa":"Liu, Y., Li, M., Wan, S., Lim, K. H., Zhang, Y., Li, M., … Cabot, A. (2023). Surface chemistry and band engineering in AgSbSe₂: Toward high thermoelectric performance. ACS Nano. American Chemical Society. https://doi.org/10.1021/acsnano.3c03541","ista":"Liu Y, Li M, Wan S, Lim KH, Zhang Y, Li M, Li J, Ibáñez M, Hong M, Cabot A. 2023. Surface chemistry and band engineering in AgSbSe₂: Toward high thermoelectric performance. ACS Nano. 17(12), 11923–11934.","short":"Y. Liu, M. Li, S. Wan, K.H. Lim, Y. Zhang, M. Li, J. Li, M. Ibáñez, M. Hong, A. Cabot, ACS Nano 17 (2023) 11923–11934.","mla":"Liu, Yu, et al. “Surface Chemistry and Band Engineering in AgSbSe₂: Toward High Thermoelectric Performance.” ACS Nano, vol. 17, no. 12, American Chemical Society, 2023, pp. 11923–11934, doi:10.1021/acsnano.3c03541."},"year":"2023","isi":1,"external_id":{"pmid":["37310395"],"isi":["001008564800001"]},"doi":"10.1021/acsnano.3c03541","day":"13","abstract":[{"text":"AgSbSe2 is a promising thermoelectric (TE) p-type material for applications in the middle-temperature range. AgSbSe2 is characterized by relatively low thermal conductivities and high Seebeck coefficients, but its main limitation is moderate electrical conductivity. Herein, we detail an efficient and scalable hot-injection synthesis route to produce AgSbSe2 nanocrystals (NCs). To increase the carrier concentration and improve the electrical conductivity, these NCs are doped with Sn2+ on Sb3+ sites. Upon processing, the Sn2+ chemical state is conserved using a reducing NaBH4 solution to displace the organic ligand and anneal the material under a forming gas flow. The TE properties of the dense materials obtained from the consolidation of the NCs using a hot pressing are then characterized. The presence of Sn2+ ions replacing Sb3+ significantly increases the charge carrier concentration and, consequently, the electrical conductivity. Opportunely, the measured Seebeck coefficient varied within a small range upon Sn doping. The excellent performance obtained when Sn2+ ions are prevented from oxidation is rationalized by modeling the system. Calculated band structures disclosed that Sn doping induces convergence of the AgSbSe2 valence bands, accounting for an enhanced electronic effective mass. The dramatically enhanced carrier transport leads to a maximized power factor for AgSb0.98Sn0.02Se2 of 0.63 mW m–1 K–2 at 640 K. Thermally, phonon scattering is significantly enhanced in the NC-based materials, yielding an ultralow thermal conductivity of 0.3 W mK–1 at 666 K. Overall, a record-high figure of merit (zT) is obtained at 666 K for AgSb0.98Sn0.02Se2 at zT = 1.37, well above the values obtained for undoped AgSbSe2, at zT = 0.58 and state-of-art Pb- and Te-free materials, which makes AgSb0.98Sn0.02Se2 an excellent p-type candidate for medium-temperature TE applications.","lang":"eng"}],"page":"11923–11934","quality_controlled":"1","publisher":"American Chemical Society","article_type":"original","_id":"13235","pmid":1,"scopus_import":"1","author":[{"id":"2A70014E-F248-11E8-B48F-1D18A9856A87","full_name":"Liu, Yu","orcid":"0000-0001-7313-6740","last_name":"Liu","first_name":"Yu"},{"first_name":"Mingquan","last_name":"Li","full_name":"Li, Mingquan"},{"last_name":"Wan","first_name":"Shanhong","full_name":"Wan, Shanhong"},{"first_name":"Khak Ho","last_name":"Lim","full_name":"Lim, Khak Ho"},{"last_name":"Zhang","first_name":"Yu","full_name":"Zhang, Yu"},{"last_name":"Li","first_name":"Mengyao","full_name":"Li, Mengyao"},{"last_name":"Li","first_name":"Junshan","full_name":"Li, Junshan"},{"orcid":"0000-0001-5013-2843","full_name":"Ibáñez, Maria","first_name":"Maria","last_name":"Ibáñez","id":"43C61214-F248-11E8-B48F-1D18A9856A87"},{"full_name":"Hong, Min","first_name":"Min","last_name":"Hong"},{"full_name":"Cabot, Andreu","first_name":"Andreu","last_name":"Cabot"}],"issue":"12","publication_status":"published","article_processing_charge":"No","department":[{"_id":"MaIb"}],"date_created":"2023-07-16T22:01:11Z","title":"Surface chemistry and band engineering in AgSbSe₂: Toward high thermoelectric performance","intvolume":" 17"},{"quality_controlled":"1","file_date_updated":"2023-08-07T07:48:11Z","publisher":"Frontiers","article_type":"original","_id":"13968","scopus_import":"1","author":[{"last_name":"Hasler","first_name":"Roger","full_name":"Hasler, Roger"},{"full_name":"Steger-Polt, Marie Helene","last_name":"Steger-Polt","first_name":"Marie Helene"},{"full_name":"Reiner-Rozman, Ciril","last_name":"Reiner-Rozman","first_name":"Ciril"},{"first_name":"Stefan","last_name":"Fossati","full_name":"Fossati, Stefan"},{"full_name":"Lee, Seungho","orcid":"0000-0002-6962-8598","last_name":"Lee","first_name":"Seungho","id":"BB243B88-D767-11E9-B658-BC13E6697425"},{"full_name":"Aspermair, Patrik","last_name":"Aspermair","first_name":"Patrik"},{"first_name":"Christoph","last_name":"Kleber","full_name":"Kleber, Christoph"},{"id":"43C61214-F248-11E8-B48F-1D18A9856A87","full_name":"Ibáñez, Maria","orcid":"0000-0001-5013-2843","last_name":"Ibáñez","first_name":"Maria"},{"full_name":"Dostalek, Jakub","first_name":"Jakub","last_name":"Dostalek"},{"full_name":"Knoll, Wolfgang","first_name":"Wolfgang","last_name":"Knoll"}],"publication_status":"published","article_processing_charge":"Yes","date_created":"2023-08-06T22:01:11Z","department":[{"_id":"MaIb"}],"title":"Optical and electronic signal stabilization of plasmonic fiber optic gate electrodes: Towards improved real-time dual-mode biosensing","intvolume":" 11","volume":11,"acknowledgement":"This project has received funding from the European Union’s Horizon 2020 Research and Innovation Programme under the Marie Skłodowska-Curie grant agreement No. 813863–BORGES. We further thank the office of the Federal Government of Lower Austria, K3-Group–Culture, Science and Education, for their financial support as part of the project “Responsive Wound Dressing”. We gratefully acknowledge the financial support from the Austrian Research Promotion Agency (FFG; 888067).\r\nWe thank the Electron Microscopy Facility at IST Austria for their support with sputter coating the FO tips and Bernhard Pichler from AIT for software development to facilitate data evaluation.","ddc":["530"],"date_updated":"2023-12-13T12:04:10Z","citation":{"ista":"Hasler R, Steger-Polt MH, Reiner-Rozman C, Fossati S, Lee S, Aspermair P, Kleber C, Ibáñez M, Dostalek J, Knoll W. 2023. Optical and electronic signal stabilization of plasmonic fiber optic gate electrodes: Towards improved real-time dual-mode biosensing. Frontiers in Physics. 11, 1202132.","short":"R. Hasler, M.H. Steger-Polt, C. Reiner-Rozman, S. Fossati, S. Lee, P. Aspermair, C. Kleber, M. Ibáñez, J. Dostalek, W. Knoll, Frontiers in Physics 11 (2023).","mla":"Hasler, Roger, et al. “Optical and Electronic Signal Stabilization of Plasmonic Fiber Optic Gate Electrodes: Towards Improved Real-Time Dual-Mode Biosensing.” Frontiers in Physics, vol. 11, 1202132, Frontiers, 2023, doi:10.3389/fphy.2023.1202132.","chicago":"Hasler, Roger, Marie Helene Steger-Polt, Ciril Reiner-Rozman, Stefan Fossati, Seungho Lee, Patrik Aspermair, Christoph Kleber, Maria Ibáñez, Jakub Dostalek, and Wolfgang Knoll. “Optical and Electronic Signal Stabilization of Plasmonic Fiber Optic Gate Electrodes: Towards Improved Real-Time Dual-Mode Biosensing.” Frontiers in Physics. Frontiers, 2023. https://doi.org/10.3389/fphy.2023.1202132.","ieee":"R. Hasler et al., “Optical and electronic signal stabilization of plasmonic fiber optic gate electrodes: Towards improved real-time dual-mode biosensing,” Frontiers in Physics, vol. 11. Frontiers, 2023.","ama":"Hasler R, Steger-Polt MH, Reiner-Rozman C, et al. Optical and electronic signal stabilization of plasmonic fiber optic gate electrodes: Towards improved real-time dual-mode biosensing. Frontiers in Physics. 2023;11. doi:10.3389/fphy.2023.1202132","apa":"Hasler, R., Steger-Polt, M. H., Reiner-Rozman, C., Fossati, S., Lee, S., Aspermair, P., … Knoll, W. (2023). Optical and electronic signal stabilization of plasmonic fiber optic gate electrodes: Towards improved real-time dual-mode biosensing. Frontiers in Physics. Frontiers. https://doi.org/10.3389/fphy.2023.1202132"},"year":"2023","isi":1,"external_id":{"isi":["001038636400001"]},"doi":"10.3389/fphy.2023.1202132","day":"14","abstract":[{"text":"The use of multimodal readout mechanisms next to label-free real-time monitoring of biomolecular interactions can provide valuable insight into surface-based reaction mechanisms. To this end, the combination of an electrolyte-gated field-effect transistor (EG-FET) with a fiber optic-coupled surface plasmon resonance (FO-SPR) probe serving as gate electrode has been investigated to deconvolute surface mass and charge density variations associated to surface reactions. However, applying an electrochemical potential on such gold-coated FO-SPR gate electrodes can induce gradual morphological changes of the thin gold film, leading to an irreversible blue-shift of the SPR wavelength and a substantial signal drift. We show that mild annealing leads to optical and electronic signal stabilization (20-fold lower signal drift than as-sputtered fiber optic gates) and improved overall analytical performance characteristics. The thermal treatment prevents morphological changes of the thin gold-film occurring during operation, hence providing reliable and stable data immediately upon gate voltage application. Thus, the readout output of both transducing principles, the optical FO-SPR and electronic EG-FET, stays constant throughout the whole sensing time-window and the long-term effect of thermal treatment is also improved, providing stable signals even after 1 year of storage. Annealing should therefore be considered a necessary modification for applying fiber optic gate electrodes in real-time multimodal investigations of surface reactions at the solid-liquid interface.","lang":"eng"}],"language":[{"iso":"eng"}],"publication":"Frontiers in Physics","has_accepted_license":"1","oa_version":"Published Version","acknowledged_ssus":[{"_id":"EM-Fac"}],"month":"07","article_number":"1202132","file":[{"creator":"dernst","file_id":"13978","access_level":"open_access","relation":"main_file","success":1,"file_name":"2023_FrontiersPhysics_Hasler.pdf","content_type":"application/pdf","date_updated":"2023-08-07T07:48:11Z","file_size":2421758,"checksum":"fb36dda665e57bab006a000bf0faacd5","date_created":"2023-08-07T07:48:11Z"}],"status":"public","user_id":"2DF688A6-F248-11E8-B48F-1D18A9856A87","tmp":{"legal_code_url":"https://creativecommons.org/licenses/by/4.0/legalcode","short":"CC BY (4.0)","image":"/images/cc_by.png","name":"Creative Commons Attribution 4.0 International Public License (CC-BY 4.0)"},"date_published":"2023-07-14T00:00:00Z","type":"journal_article","publication_identifier":{"eissn":["2296-424X"]},"oa":1},{"scopus_import":"1","_id":"12113","author":[{"full_name":"Zhang, Li","last_name":"Zhang","first_name":"Li"},{"full_name":"Liu, Xingyu","first_name":"Xingyu","last_name":"Liu"},{"last_name":"Wu","first_name":"Ting","full_name":"Wu, Ting"},{"first_name":"Shengduo","last_name":"Xu","full_name":"Xu, Shengduo","id":"12ab8624-4c8a-11ec-9e11-e1ac2438f22f"},{"full_name":"Suo, Guoquan","first_name":"Guoquan","last_name":"Suo"},{"full_name":"Ye, Xiaohui","first_name":"Xiaohui","last_name":"Ye"},{"last_name":"Hou","first_name":"Xiaojiang","full_name":"Hou, Xiaojiang"},{"full_name":"Yang, Yanling","first_name":"Yanling","last_name":"Yang"},{"first_name":"Qingfeng","last_name":"Liu","full_name":"Liu, Qingfeng"},{"last_name":"Wang","first_name":"Hongqiang","full_name":"Wang, Hongqiang"}],"article_processing_charge":"No","date_created":"2023-01-12T11:55:02Z","department":[{"_id":"MaIb"}],"publication_status":"epub_ahead","intvolume":" 613","title":"Two-step post-treatment to deliver high performance thermoelectric device with vertical temperature gradient","quality_controlled":"1","publisher":"Elsevier","article_type":"original","year":"2023","citation":{"chicago":"Zhang, Li, Xingyu Liu, Ting Wu, Shengduo Xu, Guoquan Suo, Xiaohui Ye, Xiaojiang Hou, Yanling Yang, Qingfeng Liu, and Hongqiang Wang. “Two-Step Post-Treatment to Deliver High Performance Thermoelectric Device with Vertical Temperature Gradient.” Applied Surface Science. Elsevier, 2023. https://doi.org/10.1016/j.apsusc.2022.156101.","ieee":"L. Zhang et al., “Two-step post-treatment to deliver high performance thermoelectric device with vertical temperature gradient,” Applied Surface Science, vol. 613. Elsevier, 2023.","apa":"Zhang, L., Liu, X., Wu, T., Xu, S., Suo, G., Ye, X., … Wang, H. (2023). Two-step post-treatment to deliver high performance thermoelectric device with vertical temperature gradient. Applied Surface Science. Elsevier. https://doi.org/10.1016/j.apsusc.2022.156101","ama":"Zhang L, Liu X, Wu T, et al. Two-step post-treatment to deliver high performance thermoelectric device with vertical temperature gradient. Applied Surface Science. 2023;613. doi:10.1016/j.apsusc.2022.156101","ista":"Zhang L, Liu X, Wu T, Xu S, Suo G, Ye X, Hou X, Yang Y, Liu Q, Wang H. 2023. Two-step post-treatment to deliver high performance thermoelectric device with vertical temperature gradient. Applied Surface Science. 613, 156101.","mla":"Zhang, Li, et al. “Two-Step Post-Treatment to Deliver High Performance Thermoelectric Device with Vertical Temperature Gradient.” Applied Surface Science, vol. 613, 156101, Elsevier, 2023, doi:10.1016/j.apsusc.2022.156101.","short":"L. Zhang, X. Liu, T. Wu, S. Xu, G. Suo, X. Ye, X. Hou, Y. Yang, Q. Liu, H. Wang, Applied Surface Science 613 (2023)."},"date_updated":"2023-08-14T11:47:06Z","external_id":{"isi":["000911497000001"]},"isi":1,"day":"15","doi":"10.1016/j.apsusc.2022.156101","abstract":[{"lang":"eng","text":"The power factor of poly(3,4-ethylenedioxythiophene):poly(styrene sulfonate) (PEDOT:PSS) film can be significantly improved by optimizing the oxidation level of the film in oxidation and reduction processes. However, precise control over the oxidation and reduction effects in PEDOT:PSS remains a challenge, which greatly sacrifices both S and σ. Here, we propose a two-step post-treatment using a mixture of ethylene glycol (EG) and Arginine (Arg) and sulfuric acid (H2SO4) in sequence to engineer high-performance PEDOT:PSS thermoelectric films. The high-polarity EG dopant removes the excess non-ionized PSS and induces benzenoid-to-quinoid conformational change in the PEDOT:PSS films. In particular, basic amino acid Arg tunes the oxidation level of PEDOT:PSS and prevents the films from over-oxidation during H2SO4 post-treatment, leading to increased S. The following H2SO4 post-treatment further induces highly orientated lamellar stacking microstructures to increase σ, yielding a maximum power factor of 170.6 μW m−1 K−2 at 460 K. Moreover, a novel trigonal-shape thermoelectric device is designed and assembled by the as-prepared PEDOT:PSS films in order to harvest heat via a vertical temperature gradient. An output power density of 33 μW cm−2 is generated at a temperature difference of 40 K, showing the potential application for low-grade wearable electronic devices."}],"acknowledgement":"Scientific Research Program Funded by Shaanxi Provincial Education Department (Program No.22JY012), Natural Science Basic Research Program of Shaanxi (Grant No.2022JZ-31), Young Talent fund of University Association for Science and Technology in Shaanxi, China (Grant No.20210411), China Postdoctoral Science Foundation (Grant No. 2021M692621), the Foundation of Shaanxi University of Science & Technology (Grant No. 2017GBJ-03), Open Foundation of Key Laboratory of Auxiliary Chemistry and Technology for Chemical Industry, Ministry of Education, Shaanxi University of Science and Technology (Grant No. KFKT2022-15), and Open Foundation of Shaanxi Collaborative Innovation Center of Industrial Auxiliary Chemistry and Technology, Shaanxi University of Science and Technology (Grant No. KFKT2022-15).","volume":613,"publication":"Applied Surface Science","oa_version":"None","article_number":"156101","month":"03","keyword":["Surfaces","Coatings and Films","Condensed Matter Physics","Surfaces and Interfaces","General Physics and Astronomy","General Chemistry"],"language":[{"iso":"eng"}],"type":"journal_article","date_published":"2023-03-15T00:00:00Z","publication_identifier":{"issn":["0169-4332"]},"status":"public","user_id":"2DF688A6-F248-11E8-B48F-1D18A9856A87"},{"year":"2023","citation":{"apa":"Wang, S., Chang, C., Bai, S., Qin, B., Zhu, Y., Zhan, S., … Zhao, L. D. (2023). Fine tuning of defects enables high carrier mobility and enhanced thermoelectric performance of n-type PbTe. Chemistry of Materials. American Chemical Society. https://doi.org/10.1021/acs.chemmater.2c03542","ama":"Wang S, Chang C, Bai S, et al. Fine tuning of defects enables high carrier mobility and enhanced thermoelectric performance of n-type PbTe. Chemistry of Materials. 2023;35(2):755-763. doi:10.1021/acs.chemmater.2c03542","chicago":"Wang, Siqi, Cheng Chang, Shulin Bai, Bingchao Qin, Yingcai Zhu, Shaoping Zhan, Junqing Zheng, Shuwei Tang, and Li Dong Zhao. “Fine Tuning of Defects Enables High Carrier Mobility and Enhanced Thermoelectric Performance of N-Type PbTe.” Chemistry of Materials. American Chemical Society, 2023. https://doi.org/10.1021/acs.chemmater.2c03542.","ieee":"S. Wang et al., “Fine tuning of defects enables high carrier mobility and enhanced thermoelectric performance of n-type PbTe,” Chemistry of Materials, vol. 35, no. 2. American Chemical Society, pp. 755–763, 2023.","mla":"Wang, Siqi, et al. “Fine Tuning of Defects Enables High Carrier Mobility and Enhanced Thermoelectric Performance of N-Type PbTe.” Chemistry of Materials, vol. 35, no. 2, American Chemical Society, 2023, pp. 755–63, doi:10.1021/acs.chemmater.2c03542.","short":"S. Wang, C. Chang, S. Bai, B. Qin, Y. Zhu, S. Zhan, J. Zheng, S. Tang, L.D. Zhao, Chemistry of Materials 35 (2023) 755–763.","ista":"Wang S, Chang C, Bai S, Qin B, Zhu Y, Zhan S, Zheng J, Tang S, Zhao LD. 2023. Fine tuning of defects enables high carrier mobility and enhanced thermoelectric performance of n-type PbTe. Chemistry of Materials. 35(2), 755–763."},"date_updated":"2023-08-14T12:57:44Z","external_id":{"isi":["000914749700001"]},"isi":1,"day":"24","doi":"10.1021/acs.chemmater.2c03542","abstract":[{"lang":"eng","text":"High carrier mobility is critical to improving thermoelectric performance over a broad temperature range. However, traditional doping inevitably deteriorates carrier mobility. Herein, we develop a strategy for fine tuning of defects to improve carrier mobility. To begin, n-type PbTe is created by compensating for the intrinsic Pb vacancy in bare PbTe. Excess Pb2+ reduces vacancy scattering, resulting in a high carrier mobility of ∼3400 cm2 V–1 s–1. Then, excess Ag is introduced to compensate for the remaining intrinsic Pb vacancies. We find that excess Ag exhibits a dynamic doping process with increasing temperatures, increasing both the carrier concentration and carrier mobility throughout a wide temperature range; specifically, an ultrahigh carrier mobility ∼7300 cm2 V–1 s–1 is obtained for Pb1.01Te + 0.002Ag at 300 K. Moreover, the dynamic doping-induced high carrier concentration suppresses the bipolar thermal conductivity at high temperatures. The final step is using iodine to optimize the carrier concentration to ∼1019 cm–3. Ultimately, a maximum ZT value of ∼1.5 and a large average ZTave value of ∼1.0 at 300–773 K are obtained for Pb1.01Te0.998I0.002 + 0.002Ag. These findings demonstrate that fine tuning of defects with <0.5% impurities can remarkably enhance carrier mobility and improve thermoelectric performance."}],"acknowledgement":"The National Key Research and Development Program of China (2018YFA0702100), the Basic Science Center Project of the National Natural Science Foundation of China (51788104), the National Natural Science Foundation of China (51571007 and 51772012), the Beijing Natural Science Foundation (JQ18004), the 111 Project (B17002), the National Science Fund for Distinguished Young Scholars (51925101), and the FWF “Lise Meitner Fellowship” (grant agreement M2889-N). Open Access is funded by the Austrian Science Fund (FWF).","volume":35,"ddc":["540"],"scopus_import":"1","_id":"12331","issue":"2","author":[{"last_name":"Wang","first_name":"Siqi","full_name":"Wang, Siqi"},{"id":"9E331C2E-9F27-11E9-AE48-5033E6697425","orcid":"0000-0002-9515-4277","full_name":"Chang, Cheng","first_name":"Cheng","last_name":"Chang"},{"last_name":"Bai","first_name":"Shulin","full_name":"Bai, Shulin"},{"full_name":"Qin, Bingchao","first_name":"Bingchao","last_name":"Qin"},{"full_name":"Zhu, Yingcai","first_name":"Yingcai","last_name":"Zhu"},{"full_name":"Zhan, Shaoping","first_name":"Shaoping","last_name":"Zhan"},{"last_name":"Zheng","first_name":"Junqing","full_name":"Zheng, Junqing"},{"full_name":"Tang, Shuwei","last_name":"Tang","first_name":"Shuwei"},{"full_name":"Zhao, Li Dong","first_name":"Li Dong","last_name":"Zhao"}],"article_processing_charge":"No","department":[{"_id":"MaIb"}],"date_created":"2023-01-22T23:00:55Z","publication_status":"published","intvolume":" 35","title":"Fine tuning of defects enables high carrier mobility and enhanced thermoelectric performance of n-type PbTe","quality_controlled":"1","page":"755-763","file_date_updated":"2023-08-14T12:57:25Z","publisher":"American Chemical Society","article_type":"original","tmp":{"legal_code_url":"https://creativecommons.org/licenses/by/4.0/legalcode","short":"CC BY (4.0)","image":"/images/cc_by.png","name":"Creative Commons Attribution 4.0 International Public License (CC-BY 4.0)"},"type":"journal_article","date_published":"2023-01-24T00:00:00Z","publication_identifier":{"eissn":["1520-5002"],"issn":["0897-4756"]},"oa":1,"file":[{"creator":"dernst","file_id":"14055","relation":"main_file","success":1,"access_level":"open_access","content_type":"application/pdf","file_name":"2023_ChemistryMaterials_Wang.pdf","date_updated":"2023-08-14T12:57:25Z","file_size":2961043,"checksum":"b21dca2aa7a80c068bc256bdd1fea9df","date_created":"2023-08-14T12:57:25Z"}],"status":"public","user_id":"2DF688A6-F248-11E8-B48F-1D18A9856A87","has_accepted_license":"1","publication":"Chemistry of Materials","project":[{"name":"Bottom-up Engineering for Thermoelectric Applications","grant_number":"M02889","_id":"9B8804FC-BA93-11EA-9121-9846C619BF3A"}],"oa_version":"Published Version","month":"01","language":[{"iso":"eng"}]},{"date_published":"2023-05-01T00:00:00Z","type":"journal_article","publication_identifier":{"issn":["1572-6657"]},"status":"public","user_id":"2DF688A6-F248-11E8-B48F-1D18A9856A87","publication":"Journal of Electroanalytical Chemistry","oa_version":"None","project":[{"_id":"9B8F7476-BA93-11EA-9121-9846C619BF3A","name":"HighTE: The Werner Siemens Laboratory for the High Throughput Discovery of Semiconductors for Waste Heat Recovery"}],"month":"05","article_number":"117369","language":[{"iso":"eng"}],"date_updated":"2023-10-04T11:52:33Z","year":"2023","citation":{"ieee":"G. Montaña-Mora et al., “Phosphorous incorporation into palladium tin nanoparticles for the electrocatalytic formate oxidation reaction,” Journal of Electroanalytical Chemistry, vol. 936. Elsevier, 2023.","chicago":"Montaña-Mora, Guillem, Xueqiang Qi, Xiang Wang, Jesus Chacón-Borrero, Paulina R. Martinez-Alanis, Xiaoting Yu, Junshan Li, et al. “Phosphorous Incorporation into Palladium Tin Nanoparticles for the Electrocatalytic Formate Oxidation Reaction.” Journal of Electroanalytical Chemistry. Elsevier, 2023. https://doi.org/10.1016/j.jelechem.2023.117369.","apa":"Montaña-Mora, G., Qi, X., Wang, X., Chacón-Borrero, J., Martinez-Alanis, P. R., Yu, X., … Cabot, A. (2023). Phosphorous incorporation into palladium tin nanoparticles for the electrocatalytic formate oxidation reaction. Journal of Electroanalytical Chemistry. Elsevier. https://doi.org/10.1016/j.jelechem.2023.117369","ama":"Montaña-Mora G, Qi X, Wang X, et al. Phosphorous incorporation into palladium tin nanoparticles for the electrocatalytic formate oxidation reaction. Journal of Electroanalytical Chemistry. 2023;936. doi:10.1016/j.jelechem.2023.117369","ista":"Montaña-Mora G, Qi X, Wang X, Chacón-Borrero J, Martinez-Alanis PR, Yu X, Li J, Xue Q, Arbiol J, Ibáñez M, Cabot A. 2023. Phosphorous incorporation into palladium tin nanoparticles for the electrocatalytic formate oxidation reaction. Journal of Electroanalytical Chemistry. 936, 117369.","mla":"Montaña-Mora, Guillem, et al. “Phosphorous Incorporation into Palladium Tin Nanoparticles for the Electrocatalytic Formate Oxidation Reaction.” Journal of Electroanalytical Chemistry, vol. 936, 117369, Elsevier, 2023, doi:10.1016/j.jelechem.2023.117369.","short":"G. Montaña-Mora, X. Qi, X. Wang, J. Chacón-Borrero, P.R. Martinez-Alanis, X. Yu, J. Li, Q. Xue, J. Arbiol, M. Ibáñez, A. Cabot, Journal of Electroanalytical Chemistry 936 (2023)."},"isi":1,"external_id":{"isi":["000967060900001"]},"doi":"10.1016/j.jelechem.2023.117369","day":"01","abstract":[{"text":"The deployment of direct formate fuel cells (DFFCs) relies on the development of active and stable catalysts for the formate oxidation reaction (FOR). Palladium, providing effective full oxidation of formate to CO2, has been widely used as FOR catalyst, but it suffers from low stability, moderate activity, and high cost. Herein, we detail a colloidal synthesis route for the incorporation of P on Pd2Sn nanoparticles. These nanoparticles are dispersed on carbon black and the obtained composite is used as electrocatalytic material for the FOR. The Pd2Sn0.8P-based electrodes present outstanding catalytic activities with record mass current densities up to 10.0 A mgPd-1, well above those of Pd1.6Sn/C reference electrode. These high current densities are further enhanced by increasing the temperature from 25 °C to 40 °C. The Pd2Sn0.8P electrode also allows for slowing down the rapid current decay that generally happens during operation and can be rapidly re-activated through potential cycling. The excellent catalytic performance obtained is rationalized using density functional theory (DFT) calculations.","lang":"eng"}],"acknowledgement":"This work was carried out within the framework of the project Combenergy, PID2019-105490RB-C32, financed by the Spanish MCIN/AEI/10.13039/501100011033. ICN2 is supported by the Severo Ochoa program from Spanish MCIN / AEI (Grant No.: CEX2021-001214-S). IREC and ICN2 are funded by the CERCA Programme from the Generalitat de Catalunya. Part of the present work has been performed in the frameworks of the Universitat de Barcelona Nanoscience PhD program. ICN2 acknowledges funding from Generalitat de Catalunya 2021SGR00457. This study was supported by MCIN with funding from European Union NextGenerationEU (PRTR-C17.I1) and Generalitat de Catalunya. The authors thank the support from the project NANOGEN (PID2020-116093RB-C43), funded by MCIN/ AEI/10.13039/501100011033/ and by “ERDF A way of making Europe”, by the European Union. The project on which these results are based has received funding from the European Union's Horizon 2020 research and innovation programme under Marie Skłodowska-Curie grant agreement No. 801342 (Tecniospring INDUSTRY) and the Government of Catalonia's Agency for Business Competitiveness (ACCIÓ). J. Li is grateful for the project supported by the Natural Science Foundation of Sichuan (2022NSFSC1229). M.I. acknowledges funding by ISTA and the Werner Siemens Foundation.","volume":936,"_id":"12829","scopus_import":"1","author":[{"full_name":"Montaña-Mora, Guillem","first_name":"Guillem","last_name":"Montaña-Mora"},{"full_name":"Qi, Xueqiang","first_name":"Xueqiang","last_name":"Qi"},{"first_name":"Xiang","last_name":"Wang","full_name":"Wang, Xiang"},{"full_name":"Chacón-Borrero, Jesus","first_name":"Jesus","last_name":"Chacón-Borrero"},{"first_name":"Paulina R.","last_name":"Martinez-Alanis","full_name":"Martinez-Alanis, Paulina R."},{"full_name":"Yu, Xiaoting","last_name":"Yu","first_name":"Xiaoting"},{"last_name":"Li","first_name":"Junshan","full_name":"Li, Junshan"},{"first_name":"Qian","last_name":"Xue","full_name":"Xue, Qian"},{"last_name":"Arbiol","first_name":"Jordi","full_name":"Arbiol, Jordi"},{"first_name":"Maria","last_name":"Ibáñez","orcid":"0000-0001-5013-2843","full_name":"Ibáñez, Maria","id":"43C61214-F248-11E8-B48F-1D18A9856A87"},{"last_name":"Cabot","first_name":"Andreu","full_name":"Cabot, Andreu"}],"publication_status":"published","article_processing_charge":"No","department":[{"_id":"MaIb"}],"date_created":"2023-04-16T22:01:06Z","title":"Phosphorous incorporation into palladium tin nanoparticles for the electrocatalytic formate oxidation reaction","intvolume":" 936","quality_controlled":"1","publisher":"Elsevier","article_type":"original"},{"publication_status":"published","article_processing_charge":"No","date_created":"2023-04-16T22:01:07Z","department":[{"_id":"MaIb"}],"title":"A CrMnFeCoNi high entropy alloy boosting oxygen evolution/reduction reactions and zinc-air battery performance","intvolume":" 58","_id":"12832","scopus_import":"1","author":[{"first_name":"Ren","last_name":"He","full_name":"He, Ren"},{"first_name":"Linlin","last_name":"Yang","full_name":"Yang, Linlin"},{"first_name":"Yu","last_name":"Zhang","full_name":"Zhang, Yu"},{"last_name":"Wang","first_name":"Xiang","full_name":"Wang, Xiang"},{"first_name":"Seungho","last_name":"Lee","orcid":"0000-0002-6962-8598","full_name":"Lee, Seungho","id":"BB243B88-D767-11E9-B658-BC13E6697425"},{"full_name":"Zhang, Ting","last_name":"Zhang","first_name":"Ting"},{"first_name":"Lingxiao","last_name":"Li","full_name":"Li, Lingxiao"},{"full_name":"Liang, Zhifu","last_name":"Liang","first_name":"Zhifu"},{"last_name":"Chen","first_name":"Jingwei","full_name":"Chen, Jingwei"},{"last_name":"Li","first_name":"Junshan","full_name":"Li, Junshan"},{"full_name":"Ostovari Moghaddam, Ahmad","first_name":"Ahmad","last_name":"Ostovari Moghaddam"},{"last_name":"Llorca","first_name":"Jordi","full_name":"Llorca, Jordi"},{"last_name":"Ibáñez","first_name":"Maria","full_name":"Ibáñez, Maria","orcid":"0000-0001-5013-2843","id":"43C61214-F248-11E8-B48F-1D18A9856A87"},{"full_name":"Arbiol, Jordi","first_name":"Jordi","last_name":"Arbiol"},{"full_name":"Xu, Ying","last_name":"Xu","first_name":"Ying"},{"full_name":"Cabot, Andreu","first_name":"Andreu","last_name":"Cabot"}],"issue":"4","publisher":"Elsevier","article_type":"original","page":"287-298","quality_controlled":"1","doi":"10.1016/j.ensm.2023.03.022","day":"01","abstract":[{"text":"The development of cost-effective, high-activity and stable bifunctional catalysts for the oxygen reduction and evolution reactions (ORR/OER) is essential for zinc–air batteries (ZABs) to reach the market. Such catalysts must contain multiple adsorption/reaction sites to cope with the high demands of reversible oxygen electrodes. Herein, we propose a high entropy alloy (HEA) based on relatively abundant elements as a bifunctional ORR/OER catalyst. More specifically, we detail the synthesis of a CrMnFeCoNi HEA through a low-temperature solution-based approach. Such HEA displays superior OER performance with an overpotential of 265 mV at a current density of 10 mA/cm2, and a 37.9 mV/dec Tafel slope, well above the properties of a standard commercial catalyst based on RuO2. This high performance is partially explained by the presence of twinned defects, the incidence of large lattice distortions, and the electronic synergy between the different components, being Cr key to decreasing the energy barrier of the OER rate-determining step. CrMnFeCoNi also displays superior ORR performance with a half-potential of 0.78 V and an onset potential of 0.88 V, comparable with commercial Pt/C. The potential gap (Egap) between the OER overpotential and the ORR half-potential of CrMnFeCoNi is just 0.734 V. Taking advantage of these outstanding properties, ZABs are assembled using the CrMnFeCoNi HEA as air cathode and a zinc foil as the anode. The assembled cells provide an open-circuit voltage of 1.489 V, i.e. 90% of its theoretical limit (1.66 V), a peak power density of 116.5 mW/cm2, and a specific capacity of 836 mAh/g that stays stable for more than 10 days of continuous cycling, i.e. 720 cycles @ 8 mA/cm2 and 16.6 days of continuous cycling, i.e. 1200 cycles @ 5 mA/cm2.","lang":"eng"}],"date_updated":"2023-08-01T14:08:02Z","year":"2023","citation":{"ista":"He R, Yang L, Zhang Y, Wang X, Lee S, Zhang T, Li L, Liang Z, Chen J, Li J, Ostovari Moghaddam A, Llorca J, Ibáñez M, Arbiol J, Xu Y, Cabot A. 2023. A CrMnFeCoNi high entropy alloy boosting oxygen evolution/reduction reactions and zinc-air battery performance. Energy Storage Materials. 58(4), 287–298.","short":"R. He, L. Yang, Y. Zhang, X. Wang, S. Lee, T. Zhang, L. Li, Z. Liang, J. Chen, J. Li, A. Ostovari Moghaddam, J. Llorca, M. Ibáñez, J. Arbiol, Y. Xu, A. Cabot, Energy Storage Materials 58 (2023) 287–298.","mla":"He, Ren, et al. “A CrMnFeCoNi High Entropy Alloy Boosting Oxygen Evolution/Reduction Reactions and Zinc-Air Battery Performance.” Energy Storage Materials, vol. 58, no. 4, Elsevier, 2023, pp. 287–98, doi:10.1016/j.ensm.2023.03.022.","chicago":"He, Ren, Linlin Yang, Yu Zhang, Xiang Wang, Seungho Lee, Ting Zhang, Lingxiao Li, et al. “A CrMnFeCoNi High Entropy Alloy Boosting Oxygen Evolution/Reduction Reactions and Zinc-Air Battery Performance.” Energy Storage Materials. Elsevier, 2023. https://doi.org/10.1016/j.ensm.2023.03.022.","ieee":"R. He et al., “A CrMnFeCoNi high entropy alloy boosting oxygen evolution/reduction reactions and zinc-air battery performance,” Energy Storage Materials, vol. 58, no. 4. Elsevier, pp. 287–298, 2023.","ama":"He R, Yang L, Zhang Y, et al. A CrMnFeCoNi high entropy alloy boosting oxygen evolution/reduction reactions and zinc-air battery performance. Energy Storage Materials. 2023;58(4):287-298. doi:10.1016/j.ensm.2023.03.022","apa":"He, R., Yang, L., Zhang, Y., Wang, X., Lee, S., Zhang, T., … Cabot, A. (2023). A CrMnFeCoNi high entropy alloy boosting oxygen evolution/reduction reactions and zinc-air battery performance. Energy Storage Materials. Elsevier. https://doi.org/10.1016/j.ensm.2023.03.022"},"isi":1,"external_id":{"isi":["000967601700001"]},"volume":58,"acknowledgement":"The authors thank the support from the project COMBENERGY, PID2019-105490RB-C32, from the Spanish Ministerio de Ciencia e Innovación. The authors acknowledge funding from Generalitat de Catalunya 2021 SGR 01581 and 2021 SGR 00457. ICN2 acknowledges the Severo Ochoa program from Spanish MINECO (Grant No. SEV-2017-0706). IREC and ICN2 are funded by the CERCA Programme from the Generalitat de Catalunya. ICN2 is supported by the Severo Ochoa program from Spanish MCIN / AEI (Grant No.: CEX2021-001214-S). ICN2 acknowledges funding from Generalitat de Catalunya 2017 SGR 327. This study was supported by MCIN with funding from European Union NextGenerationEU (PRTR-C17.I1) and Generalitat de Catalunya. The authors thank the support from the project NANOGEN (PID2020-116093RB-C43), funded by MCIN/ AEI/10.13039/501100011033/ and by “ERDF A way of making Europe”, by the “European Union”. Part of the present work has been performed in the frameworks of Universitat de Barcelona Nanoscience PhD program. This research was supported by the Scientific Service Units (SSU) of IST Austria through resources provided by Electron Microscopy Facility (EMF). S. Lee. and M. Ibáñez acknowledge funding by IST Austria and the Werner Siemens Foundation. J. Llorca is a Serra Húnter Fellow and is grateful to ICREA Academia program and projects MICINN/FEDER PID2021-124572OB-C31 and GC 2017 SGR 128. L. L.Yang thanks the China Scholarship Council (CSC) for the scholarship support (202008130132). Z. F. Liang acknowledges funding from MINECO SO-FPT PhD grant (SEV-2013-0295-17-1). J. W. Chen and Y. Xu thank the support from The Key Research and Development Program of Hebei Province (No. 20314305D) and the cooperative scientific research project of the “Chunhui Program” of the Ministry of Education (2018-7). This work was supported by the Natural Science Foundation of Sichuan province (NSFSC) and funded by the Science and Technology Department of Sichuan Province (2022NSFSC1229).","oa_version":"None","acknowledged_ssus":[{"_id":"EM-Fac"}],"project":[{"name":"HighTE: The Werner Siemens Laboratory for the High Throughput Discovery of Semiconductors for Waste Heat Recovery","_id":"9B8F7476-BA93-11EA-9121-9846C619BF3A"}],"month":"04","publication":"Energy Storage Materials","language":[{"iso":"eng"}],"publication_identifier":{"eissn":["2405-8297"]},"date_published":"2023-04-01T00:00:00Z","type":"journal_article","user_id":"4359f0d1-fa6c-11eb-b949-802e58b17ae8","status":"public"}]