[{"doi":"10.1126/science.adk3070","language":[{"iso":"eng"}],"acknowledgement":"The authors thank the Werner-Siemens-Stiftung and the Institute of Science and Technology Austria for financial support.","project":[{"_id":"9B8F7476-BA93-11EA-9121-9846C619BF3A","name":"HighTE: The Werner Siemens Laboratory for the High Throughput Discovery of Semiconductors for Waste Heat Recovery"}],"pmid":1,"author":[{"orcid":"0000-0001-7597-043X","id":"302BADF6-85FC-11EA-9E3B-B9493DDC885E","first_name":"Daniel","full_name":"Balazs, Daniel","last_name":"Balazs"},{"id":"43C61214-F248-11E8-B48F-1D18A9856A87","orcid":"0000-0001-5013-2843","last_name":"Ibáñez","first_name":"Maria","full_name":"Ibáñez, Maria"}],"type":"journal_article","day":"29","title":"Widening the use of 3D printing","citation":{"mla":"Balazs, Daniel, and Maria Ibáñez. “Widening the Use of 3D Printing.” <i>Science</i>, vol. 381, no. 6665, AAAS, 2023, pp. 1413–14, doi:<a href=\"https://doi.org/10.1126/science.adk3070\">10.1126/science.adk3070</a>.","chicago":"Balazs, Daniel, and Maria Ibáñez. “Widening the Use of 3D Printing.” <i>Science</i>. AAAS, 2023. <a href=\"https://doi.org/10.1126/science.adk3070\">https://doi.org/10.1126/science.adk3070</a>.","ista":"Balazs D, Ibáñez M. 2023. Widening the use of 3D printing. Science. 381(6665), 1413–1414.","ieee":"D. Balazs and M. Ibáñez, “Widening the use of 3D printing,” <i>Science</i>, vol. 381, no. 6665. AAAS, pp. 1413–1414, 2023.","ama":"Balazs D, Ibáñez M. Widening the use of 3D printing. <i>Science</i>. 2023;381(6665):1413-1414. doi:<a href=\"https://doi.org/10.1126/science.adk3070\">10.1126/science.adk3070</a>","apa":"Balazs, D., &#38; Ibáñez, M. (2023). Widening the use of 3D printing. <i>Science</i>. AAAS. <a href=\"https://doi.org/10.1126/science.adk3070\">https://doi.org/10.1126/science.adk3070</a>","short":"D. Balazs, M. Ibáñez, Science 381 (2023) 1413–1414."},"status":"public","intvolume":"       381","department":[{"_id":"MaIb"},{"_id":"LifeSc"}],"quality_controlled":"1","publication":"Science","publisher":"AAAS","date_created":"2023-10-08T22:01:16Z","month":"09","page":"1413-1414","publication_identifier":{"eissn":["1095-9203"]},"user_id":"2DF688A6-F248-11E8-B48F-1D18A9856A87","date_updated":"2023-10-09T07:32:58Z","external_id":{"pmid":["37769110"]},"scopus_import":"1","oa_version":"None","year":"2023","article_type":"letter_note","volume":381,"publication_status":"published","_id":"14404","abstract":[{"text":"A light-triggered fabrication method extends the functionality of printable nanomaterials","lang":"eng"}],"date_published":"2023-09-29T00:00:00Z","issue":"6665","article_processing_charge":"No"},{"date_created":"2023-10-17T10:52:23Z","month":"07","status":"public","publication":"Advanced Materials","department":[{"_id":"MaIb"}],"quality_controlled":"1","isi":1,"publisher":"Wiley","type":"journal_article","author":[{"last_name":"He","first_name":"Ren","full_name":"He, Ren"},{"full_name":"Yang, Linlin","first_name":"Linlin","last_name":"Yang"},{"last_name":"Zhang","full_name":"Zhang, Yu","first_name":"Yu"},{"full_name":"Jiang, Daochuan","first_name":"Daochuan","last_name":"Jiang"},{"full_name":"Lee, Seungho","first_name":"Seungho","last_name":"Lee","orcid":"0000-0002-6962-8598","id":"BB243B88-D767-11E9-B658-BC13E6697425"},{"id":"03a7e858-01b1-11ec-8b71-99ae6c4a05bc","last_name":"Horta","first_name":"Sharona","full_name":"Horta, Sharona"},{"last_name":"Liang","full_name":"Liang, Zhifu","first_name":"Zhifu"},{"last_name":"Lu","first_name":"Xuan","full_name":"Lu, Xuan"},{"last_name":"Ostovari Moghaddam","first_name":"Ahmad","full_name":"Ostovari Moghaddam, Ahmad"},{"full_name":"Li, Junshan","first_name":"Junshan","last_name":"Li"},{"first_name":"Maria","full_name":"Ibáñez, Maria","last_name":"Ibáñez","id":"43C61214-F248-11E8-B48F-1D18A9856A87","orcid":"0000-0001-5013-2843"},{"last_name":"Xu","first_name":"Ying","full_name":"Xu, Ying"},{"last_name":"Zhou","first_name":"Yingtang","full_name":"Zhou, Yingtang"},{"last_name":"Cabot","first_name":"Andreu","full_name":"Cabot, Andreu"}],"day":"24","title":"A 3d‐4d‐5d high entropy alloy as a bifunctional oxygen catalyst for robust aqueous zinc–air batteries","citation":{"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.” <i>Advanced Materials</i>. Wiley, 2023. <a href=\"https://doi.org/10.1002/adma.202303719\">https://doi.org/10.1002/adma.202303719</a>.","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.","ieee":"R. He <i>et al.</i>, “A 3d‐4d‐5d high entropy alloy as a bifunctional oxygen catalyst for robust aqueous zinc–air batteries,” <i>Advanced Materials</i>. Wiley, 2023.","mla":"He, Ren, et al. “A 3d‐4d‐5d High Entropy Alloy as a Bifunctional Oxygen Catalyst for Robust Aqueous Zinc–Air Batteries.” <i>Advanced Materials</i>, 2303719, Wiley, 2023, doi:<a href=\"https://doi.org/10.1002/adma.202303719\">10.1002/adma.202303719</a>.","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).","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. <i>Advanced Materials</i>. 2023. doi:<a href=\"https://doi.org/10.1002/adma.202303719\">10.1002/adma.202303719</a>","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. <i>Advanced Materials</i>. Wiley. <a href=\"https://doi.org/10.1002/adma.202303719\">https://doi.org/10.1002/adma.202303719</a>"},"doi":"10.1002/adma.202303719","keyword":["Mechanical Engineering","Mechanics of Materials","General Materials Science"],"language":[{"iso":"eng"}],"project":[{"name":"HighTE: The Werner Siemens Laboratory for the High Throughput Discovery of Semiconductors for Waste Heat Recovery","_id":"9B8F7476-BA93-11EA-9121-9846C619BF3A"}],"pmid":1,"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.","_id":"14434","date_published":"2023-07-24T00:00:00Z","abstract":[{"lang":"eng","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<jats:sup>−2</jats:sup> and 276 mV at 100 mA cm<jats:sup>−2</jats:sup>. 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<jats:sup>−2</jats:sup>, a specific capacity of 857 mAh g<jats:sub>Zn</jats:sub><jats:sup>−1</jats:sup><jats:sub>,</jats:sub> 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."}],"article_number":"2303719","article_processing_charge":"No","publication_status":"epub_ahead","year":"2023","oa_version":"None","article_type":"original","publication_identifier":{"issn":["0935-9648","1521-4095"]},"acknowledged_ssus":[{"_id":"EM-Fac"}],"external_id":{"isi":["001083876900001"],"pmid":["37487245"]},"user_id":"2DF688A6-F248-11E8-B48F-1D18A9856A87","date_updated":"2023-12-13T13:03:23Z"},{"external_id":{"pmid":["38152986"]},"scopus_import":"1","language":[{"iso":"eng"}],"date_updated":"2024-01-08T09:17:04Z","user_id":"2DF688A6-F248-11E8-B48F-1D18A9856A87","publication_identifier":{"eissn":["2366-9608"]},"doi":"10.1002/smtd.202301377","project":[{"name":"HighTE: The Werner Siemens Laboratory for the High Throughput Discovery of Semiconductors for Waste Heat Recovery","_id":"9B8F7476-BA93-11EA-9121-9846C619BF3A"}],"pmid":1,"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.","article_type":"original","day":"28","type":"journal_article","author":[{"last_name":"Wan","full_name":"Wan, Shanhong","first_name":"Shanhong"},{"last_name":"Xiao","first_name":"Shanshan","full_name":"Xiao, Shanshan"},{"first_name":"Mingquan","full_name":"Li, Mingquan","last_name":"Li"},{"last_name":"Wang","first_name":"Xin","full_name":"Wang, Xin"},{"last_name":"Lim","full_name":"Lim, Khak Ho","first_name":"Khak Ho"},{"last_name":"Hong","full_name":"Hong, Min","first_name":"Min"},{"orcid":"0000-0001-5013-2843","id":"43C61214-F248-11E8-B48F-1D18A9856A87","last_name":"Ibáñez","full_name":"Ibáñez, Maria","first_name":"Maria"},{"last_name":"Cabot","first_name":"Andreu","full_name":"Cabot, Andreu"},{"full_name":"Liu, Yu","first_name":"Yu","last_name":"Liu","orcid":"0000-0001-7313-6740","id":"2A70014E-F248-11E8-B48F-1D18A9856A87"}],"oa_version":"None","year":"2023","citation":{"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. <i>Small Methods</i>. Wiley. <a href=\"https://doi.org/10.1002/smtd.202301377\">https://doi.org/10.1002/smtd.202301377</a>","ama":"Wan S, Xiao S, Li M, et al. Band engineering through Pb-doping of nanocrystal building blocks to enhance thermoelectric performance in Cu3SbSe4. <i>Small Methods</i>. 2023. doi:<a href=\"https://doi.org/10.1002/smtd.202301377\">10.1002/smtd.202301377</a>","short":"S. Wan, S. Xiao, M. Li, X. Wang, K.H. Lim, M. Hong, M. Ibáñez, A. Cabot, Y. Liu, Small Methods (2023).","mla":"Wan, Shanhong, et al. “Band Engineering through Pb-Doping of Nanocrystal Building Blocks to Enhance Thermoelectric Performance in Cu3SbSe4.” <i>Small Methods</i>, Wiley, 2023, doi:<a href=\"https://doi.org/10.1002/smtd.202301377\">10.1002/smtd.202301377</a>.","ieee":"S. Wan <i>et al.</i>, “Band engineering through Pb-doping of nanocrystal building blocks to enhance thermoelectric performance in Cu3SbSe4,” <i>Small Methods</i>. Wiley, 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.","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.” <i>Small Methods</i>. Wiley, 2023. <a href=\"https://doi.org/10.1002/smtd.202301377\">https://doi.org/10.1002/smtd.202301377</a>."},"title":"Band engineering through Pb-doping of nanocrystal building blocks to enhance thermoelectric performance in Cu3SbSe4","publication":"Small Methods","quality_controlled":"1","department":[{"_id":"MaIb"}],"status":"public","publication_status":"epub_ahead","publisher":"Wiley","month":"12","_id":"14734","date_created":"2024-01-07T23:00:51Z","abstract":[{"lang":"eng","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."}],"date_published":"2023-12-28T00:00:00Z","article_processing_charge":"No"},{"day":"05","type":"journal_article","author":[{"last_name":"Nan","full_name":"Nan, Bingfei","first_name":"Bingfei"},{"last_name":"Li","first_name":"Mengyao","full_name":"Li, Mengyao"},{"last_name":"Zhang","full_name":"Zhang, Yu","first_name":"Yu"},{"first_name":"Ke","full_name":"Xiao, Ke","last_name":"Xiao"},{"last_name":"Lim","full_name":"Lim, Khak Ho","first_name":"Khak Ho"},{"orcid":"0000-0002-9515-4277","id":"9E331C2E-9F27-11E9-AE48-5033E6697425","last_name":"Chang","first_name":"Cheng","full_name":"Chang, Cheng"},{"last_name":"Han","full_name":"Han, Xu","first_name":"Xu"},{"last_name":"Zuo","full_name":"Zuo, Yong","first_name":"Yong"},{"last_name":"Li","first_name":"Junshan","full_name":"Li, Junshan"},{"first_name":"Jordi","full_name":"Arbiol, Jordi","last_name":"Arbiol"},{"first_name":"Jordi","full_name":"Llorca, Jordi","last_name":"Llorca"},{"last_name":"Ibáñez","full_name":"Ibáñez, Maria","first_name":"Maria","id":"43C61214-F248-11E8-B48F-1D18A9856A87","orcid":"0000-0001-5013-2843"},{"first_name":"Andreu","full_name":"Cabot, Andreu","last_name":"Cabot"}],"citation":{"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).","ama":"Nan B, Li M, Zhang Y, et al. Engineering of thermoelectric composites based on silver selenide in aqueous solution and ambient temperature. <i>ACS Applied Electronic Materials</i>. 2023. doi:<a href=\"https://doi.org/10.1021/acsaelm.3c00055\">10.1021/acsaelm.3c00055</a>","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. <i>ACS Applied Electronic Materials</i>. American Chemical Society. <a href=\"https://doi.org/10.1021/acsaelm.3c00055\">https://doi.org/10.1021/acsaelm.3c00055</a>","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.” <i>ACS Applied Electronic Materials</i>. American Chemical Society, 2023. <a href=\"https://doi.org/10.1021/acsaelm.3c00055\">https://doi.org/10.1021/acsaelm.3c00055</a>.","ieee":"B. Nan <i>et al.</i>, “Engineering of thermoelectric composites based on silver selenide in aqueous solution and ambient temperature,” <i>ACS Applied Electronic Materials</i>. American Chemical Society, 2023.","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.","mla":"Nan, Bingfei, et al. “Engineering of Thermoelectric Composites Based on Silver Selenide in Aqueous Solution and Ambient Temperature.” <i>ACS Applied Electronic Materials</i>, American Chemical Society, 2023, doi:<a href=\"https://doi.org/10.1021/acsaelm.3c00055\">10.1021/acsaelm.3c00055</a>."},"title":"Engineering of thermoelectric composites based on silver selenide in aqueous solution and ambient temperature","language":[{"iso":"eng"}],"doi":"10.1021/acsaelm.3c00055","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.","project":[{"_id":"9B8804FC-BA93-11EA-9121-9846C619BF3A","name":"Bottom-up Engineering for Thermoelectric Applications","grant_number":"M02889"},{"_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","date_created":"2023-05-28T22:01:03Z","quality_controlled":"1","department":[{"_id":"MaIb"}],"publication":"ACS Applied Electronic Materials","status":"public","publisher":"American Chemical Society","isi":1,"article_type":"original","year":"2023","oa_version":"Published Version","date_updated":"2023-08-01T14:50:48Z","user_id":"4359f0d1-fa6c-11eb-b949-802e58b17ae8","scopus_import":"1","external_id":{"isi":["000986859000001"]},"publication_identifier":{"eissn":["2637-6113"]},"_id":"13093","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"}],"date_published":"2023-05-05T00:00:00Z","article_processing_charge":"No","publication_status":"epub_ahead","main_file_link":[{"url":"https://doi.org/10.1021/acsaelm.3c00055","open_access":"1"}],"oa":1},{"page":"11923–11934","date_created":"2023-07-16T22:01:11Z","month":"06","isi":1,"publisher":"American Chemical Society","status":"public","intvolume":"        17","publication":"ACS Nano","department":[{"_id":"MaIb"}],"quality_controlled":"1","title":"Surface chemistry and band engineering in AgSbSe₂: Toward high thermoelectric performance","citation":{"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.","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. <i>ACS Nano</i>. American Chemical Society. <a href=\"https://doi.org/10.1021/acsnano.3c03541\">https://doi.org/10.1021/acsnano.3c03541</a>","ama":"Liu Y, Li M, Wan S, et al. Surface chemistry and band engineering in AgSbSe₂: Toward high thermoelectric performance. <i>ACS Nano</i>. 2023;17(12):11923–11934. doi:<a href=\"https://doi.org/10.1021/acsnano.3c03541\">10.1021/acsnano.3c03541</a>","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.","ieee":"Y. Liu <i>et al.</i>, “Surface chemistry and band engineering in AgSbSe₂: Toward high thermoelectric performance,” <i>ACS Nano</i>, 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.” <i>ACS Nano</i>. American Chemical Society, 2023. <a href=\"https://doi.org/10.1021/acsnano.3c03541\">https://doi.org/10.1021/acsnano.3c03541</a>.","mla":"Liu, Yu, et al. “Surface Chemistry and Band Engineering in AgSbSe₂: Toward High Thermoelectric Performance.” <i>ACS Nano</i>, vol. 17, no. 12, American Chemical Society, 2023, pp. 11923–11934, doi:<a href=\"https://doi.org/10.1021/acsnano.3c03541\">10.1021/acsnano.3c03541</a>."},"author":[{"last_name":"Liu","first_name":"Yu","full_name":"Liu, Yu","orcid":"0000-0001-7313-6740","id":"2A70014E-F248-11E8-B48F-1D18A9856A87"},{"full_name":"Li, Mingquan","first_name":"Mingquan","last_name":"Li"},{"full_name":"Wan, Shanhong","first_name":"Shanhong","last_name":"Wan"},{"last_name":"Lim","first_name":"Khak Ho","full_name":"Lim, Khak Ho"},{"last_name":"Zhang","full_name":"Zhang, Yu","first_name":"Yu"},{"last_name":"Li","first_name":"Mengyao","full_name":"Li, Mengyao"},{"first_name":"Junshan","full_name":"Li, Junshan","last_name":"Li"},{"last_name":"Ibáñez","first_name":"Maria","full_name":"Ibáñez, Maria","id":"43C61214-F248-11E8-B48F-1D18A9856A87","orcid":"0000-0001-5013-2843"},{"last_name":"Hong","full_name":"Hong, Min","first_name":"Min"},{"first_name":"Andreu","full_name":"Cabot, Andreu","last_name":"Cabot"}],"type":"journal_article","day":"13","project":[{"_id":"9B8F7476-BA93-11EA-9121-9846C619BF3A","name":"HighTE: The Werner Siemens Laboratory for the High Throughput Discovery of Semiconductors for Waste Heat Recovery"}],"pmid":1,"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.","doi":"10.1021/acsnano.3c03541","language":[{"iso":"eng"}],"article_processing_charge":"No","issue":"12","_id":"13235","date_published":"2023-06-13T00:00:00Z","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"}],"publication_status":"published","volume":17,"oa_version":"None","year":"2023","article_type":"original","publication_identifier":{"eissn":["1936-086X"],"issn":["1936-0851"]},"external_id":{"pmid":["37310395"],"isi":["001008564800001"]},"scopus_import":"1","user_id":"4359f0d1-fa6c-11eb-b949-802e58b17ae8","date_updated":"2023-08-02T06:29:55Z"},{"date_updated":"2023-10-04T11:52:33Z","user_id":"2DF688A6-F248-11E8-B48F-1D18A9856A87","scopus_import":"1","external_id":{"isi":["000967060900001"]},"publication_identifier":{"issn":["1572-6657"]},"article_type":"original","year":"2023","oa_version":"None","volume":936,"publication_status":"published","article_number":"117369","abstract":[{"lang":"eng","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."}],"_id":"12829","date_published":"2023-05-01T00:00:00Z","article_processing_charge":"No","language":[{"iso":"eng"}],"doi":"10.1016/j.jelechem.2023.117369","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.","project":[{"_id":"9B8F7476-BA93-11EA-9121-9846C619BF3A","name":"HighTE: The Werner Siemens Laboratory for the High Throughput Discovery of Semiconductors for Waste Heat Recovery"}],"day":"01","author":[{"last_name":"Montaña-Mora","first_name":"Guillem","full_name":"Montaña-Mora, Guillem"},{"last_name":"Qi","full_name":"Qi, Xueqiang","first_name":"Xueqiang"},{"full_name":"Wang, Xiang","first_name":"Xiang","last_name":"Wang"},{"first_name":"Jesus","full_name":"Chacón-Borrero, Jesus","last_name":"Chacón-Borrero"},{"last_name":"Martinez-Alanis","full_name":"Martinez-Alanis, Paulina R.","first_name":"Paulina R."},{"first_name":"Xiaoting","full_name":"Yu, Xiaoting","last_name":"Yu"},{"first_name":"Junshan","full_name":"Li, Junshan","last_name":"Li"},{"last_name":"Xue","first_name":"Qian","full_name":"Xue, Qian"},{"full_name":"Arbiol, Jordi","first_name":"Jordi","last_name":"Arbiol"},{"last_name":"Ibáñez","first_name":"Maria","full_name":"Ibáñez, Maria","orcid":"0000-0001-5013-2843","id":"43C61214-F248-11E8-B48F-1D18A9856A87"},{"first_name":"Andreu","full_name":"Cabot, Andreu","last_name":"Cabot"}],"type":"journal_article","citation":{"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.” <i>Journal of Electroanalytical Chemistry</i>. Elsevier, 2023. <a href=\"https://doi.org/10.1016/j.jelechem.2023.117369\">https://doi.org/10.1016/j.jelechem.2023.117369</a>.","ieee":"G. Montaña-Mora <i>et al.</i>, “Phosphorous incorporation into palladium tin nanoparticles for the electrocatalytic formate oxidation reaction,” <i>Journal of Electroanalytical Chemistry</i>, vol. 936. Elsevier, 2023.","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.” <i>Journal of Electroanalytical Chemistry</i>, vol. 936, 117369, Elsevier, 2023, doi:<a href=\"https://doi.org/10.1016/j.jelechem.2023.117369\">10.1016/j.jelechem.2023.117369</a>.","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).","ama":"Montaña-Mora G, Qi X, Wang X, et al. Phosphorous incorporation into palladium tin nanoparticles for the electrocatalytic formate oxidation reaction. <i>Journal of Electroanalytical Chemistry</i>. 2023;936. doi:<a href=\"https://doi.org/10.1016/j.jelechem.2023.117369\">10.1016/j.jelechem.2023.117369</a>","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. <i>Journal of Electroanalytical Chemistry</i>. Elsevier. <a href=\"https://doi.org/10.1016/j.jelechem.2023.117369\">https://doi.org/10.1016/j.jelechem.2023.117369</a>"},"title":"Phosphorous incorporation into palladium tin nanoparticles for the electrocatalytic formate oxidation reaction","quality_controlled":"1","department":[{"_id":"MaIb"}],"publication":"Journal of Electroanalytical Chemistry","intvolume":"       936","status":"public","publisher":"Elsevier","isi":1,"month":"05","date_created":"2023-04-16T22:01:06Z"},{"day":"01","author":[{"last_name":"He","first_name":"Ren","full_name":"He, Ren"},{"first_name":"Linlin","full_name":"Yang, Linlin","last_name":"Yang"},{"last_name":"Zhang","full_name":"Zhang, Yu","first_name":"Yu"},{"first_name":"Xiang","full_name":"Wang, Xiang","last_name":"Wang"},{"full_name":"Lee, Seungho","first_name":"Seungho","last_name":"Lee","orcid":"0000-0002-6962-8598","id":"BB243B88-D767-11E9-B658-BC13E6697425"},{"full_name":"Zhang, Ting","first_name":"Ting","last_name":"Zhang"},{"first_name":"Lingxiao","full_name":"Li, Lingxiao","last_name":"Li"},{"full_name":"Liang, Zhifu","first_name":"Zhifu","last_name":"Liang"},{"last_name":"Chen","first_name":"Jingwei","full_name":"Chen, Jingwei"},{"full_name":"Li, Junshan","first_name":"Junshan","last_name":"Li"},{"first_name":"Ahmad","full_name":"Ostovari Moghaddam, Ahmad","last_name":"Ostovari Moghaddam"},{"first_name":"Jordi","full_name":"Llorca, Jordi","last_name":"Llorca"},{"id":"43C61214-F248-11E8-B48F-1D18A9856A87","orcid":"0000-0001-5013-2843","full_name":"Ibáñez, Maria","first_name":"Maria","last_name":"Ibáñez"},{"full_name":"Arbiol, Jordi","first_name":"Jordi","last_name":"Arbiol"},{"last_name":"Xu","first_name":"Ying","full_name":"Xu, Ying"},{"last_name":"Cabot","first_name":"Andreu","full_name":"Cabot, Andreu"}],"type":"journal_article","citation":{"ama":"He R, Yang L, Zhang Y, et al. A CrMnFeCoNi high entropy alloy boosting oxygen evolution/reduction reactions and zinc-air battery performance. <i>Energy Storage Materials</i>. 2023;58(4):287-298. doi:<a href=\"https://doi.org/10.1016/j.ensm.2023.03.022\">10.1016/j.ensm.2023.03.022</a>","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. <i>Energy Storage Materials</i>. Elsevier. <a href=\"https://doi.org/10.1016/j.ensm.2023.03.022\">https://doi.org/10.1016/j.ensm.2023.03.022</a>","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.” <i>Energy Storage Materials</i>, vol. 58, no. 4, Elsevier, 2023, pp. 287–98, doi:<a href=\"https://doi.org/10.1016/j.ensm.2023.03.022\">10.1016/j.ensm.2023.03.022</a>.","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.” <i>Energy Storage Materials</i>. Elsevier, 2023. <a href=\"https://doi.org/10.1016/j.ensm.2023.03.022\">https://doi.org/10.1016/j.ensm.2023.03.022</a>.","ieee":"R. He <i>et al.</i>, “A CrMnFeCoNi high entropy alloy boosting oxygen evolution/reduction reactions and zinc-air battery performance,” <i>Energy Storage Materials</i>, vol. 58, no. 4. Elsevier, pp. 287–298, 2023.","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."},"title":"A CrMnFeCoNi high entropy alloy boosting oxygen evolution/reduction reactions and zinc-air battery performance","language":[{"iso":"eng"}],"doi":"10.1016/j.ensm.2023.03.022","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).","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":"04","date_created":"2023-04-16T22:01:07Z","page":"287-298","department":[{"_id":"MaIb"}],"quality_controlled":"1","publication":"Energy Storage Materials","intvolume":"        58","status":"public","publisher":"Elsevier","isi":1,"article_type":"original","year":"2023","oa_version":"None","user_id":"4359f0d1-fa6c-11eb-b949-802e58b17ae8","date_updated":"2023-08-01T14:08:02Z","scopus_import":"1","external_id":{"isi":["000967601700001"]},"publication_identifier":{"eissn":["2405-8297"]},"acknowledged_ssus":[{"_id":"EM-Fac"}],"_id":"12832","date_published":"2023-04-01T00:00:00Z","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"}],"issue":"4","article_processing_charge":"No","volume":58,"publication_status":"published"},{"keyword":["tin selenide","nanocomposite","grain growth","Zener pinning","thermoelectricity","annealing","solution processing"],"language":[{"iso":"eng"}],"doi":"10.1021/acsnano.1c06720","ddc":["540"],"related_material":{"record":[{"relation":"dissertation_contains","id":"12885","status":"public"}]},"pmid":1,"project":[{"call_identifier":"H2020","_id":"260C2330-B435-11E9-9278-68D0E5697425","grant_number":"754411","name":"ISTplus - Postdoctoral Fellowships"},{"grant_number":"665385","name":"International IST Doctoral Program","call_identifier":"H2020","_id":"2564DBCA-B435-11E9-9278-68D0E5697425"},{"name":"HighTE: The Werner Siemens Laboratory for the High Throughput Discovery of Semiconductors for Waste Heat Recovery","_id":"9B8F7476-BA93-11EA-9121-9846C619BF3A"},{"grant_number":"M02889","name":"Bottom-up Engineering for Thermoelectric Applications","_id":"9B8804FC-BA93-11EA-9121-9846C619BF3A"}],"acknowledgement":"This work was financially supported by IST Austria and the Werner Siemens Foundation. Y.L. acknowledges funding from the European Union’s Horizon 2020 research and innovation program under the Marie Sklodowska-Curie grant agreement No. 754411. S.L. and M.C. received funding from the European Union’s Horizon 2020 research and innovation program under the Marie Skłodowska-Curie Grant Agreement No. 665385. J.D. acknowledges funding from the European Union’s Horizon 2020 research and innovation program under the Marie Sklodowska-Curie grant agreement no. 665919 (P-SPHERE) cofunded by Severo Ochoa Programme. C.C. acknowledges funding from the FWF “Lise Meitner Fellowship” grant agreement M 2889-N. Y.Y. and O.C.-M. acknowledge the financial support from DFG within the project SFB 917: Nanoswitches. M.C.S. received funding from the European Union’s Horizon 2020 research and innovation programme under the Marie Skłodowska-Curie grant agreement No. 754510 (PROBIST) and the Severo Ochoa programme. J.D. received funding from the European Union’s Horizon 2020 research and innovation programme under the Marie Sklodowska-Curie grant agreement No. 665919 (P-SPHERE) cofunded by Severo Ochoa Programme. The ICN2 is funded by the CERCA Program/Generalitat de Catalunya and by the Severo Ochoa program of the Spanish Ministry of Economy, Industry, and Competitiveness (MINECO, grant no. SEV-2017-0706). ICN2 acknowledges funding from Generalitat de Catalunya 2017 SGR 327 and the Spanish MINECO project NANOGEN (PID2020-116093RB-C43). This project received funding from the European Union’s Horizon 2020 research and innovation program under grant agreement No. 823717-ESTEEM3. The FIB sample preparation was conducted in the LMA-INA-Universidad de Zaragoza.","day":"25","type":"journal_article","author":[{"last_name":"Liu","full_name":"Liu, Yu","first_name":"Yu","id":"2A70014E-F248-11E8-B48F-1D18A9856A87","orcid":"0000-0001-7313-6740"},{"last_name":"Calcabrini","full_name":"Calcabrini, Mariano","first_name":"Mariano","id":"45D7531A-F248-11E8-B48F-1D18A9856A87"},{"first_name":"Yuan","full_name":"Yu, Yuan","last_name":"Yu"},{"first_name":"Seungho","full_name":"Lee, Seungho","last_name":"Lee","id":"BB243B88-D767-11E9-B658-BC13E6697425","orcid":"0000-0002-6962-8598"},{"full_name":"Chang, Cheng","first_name":"Cheng","last_name":"Chang","orcid":"0000-0002-9515-4277","id":"9E331C2E-9F27-11E9-AE48-5033E6697425"},{"first_name":"Jérémy","full_name":"David, Jérémy","last_name":"David"},{"id":"a5fc9bc3-feff-11ea-93fe-e8015a3c7e9d","full_name":"Ghosh, Tanmoy","first_name":"Tanmoy","last_name":"Ghosh"},{"full_name":"Spadaro, Maria Chiara","first_name":"Maria Chiara","last_name":"Spadaro"},{"last_name":"Xie","first_name":"Chenyang","full_name":"Xie, Chenyang"},{"first_name":"Oana","full_name":"Cojocaru-Mirédin, Oana","last_name":"Cojocaru-Mirédin"},{"full_name":"Arbiol, Jordi","first_name":"Jordi","last_name":"Arbiol"},{"last_name":"Ibáñez","first_name":"Maria","full_name":"Ibáñez, Maria","id":"43C61214-F248-11E8-B48F-1D18A9856A87","orcid":"0000-0001-5013-2843"}],"citation":{"mla":"Liu, Yu, et al. “Defect Engineering in Solution-Processed Polycrystalline SnSe Leads to High Thermoelectric Performance.” <i>ACS Nano</i>, vol. 16, no. 1, American Chemical Society , 2022, pp. 78–88, doi:<a href=\"https://doi.org/10.1021/acsnano.1c06720\">10.1021/acsnano.1c06720</a>.","chicago":"Liu, Yu, Mariano Calcabrini, Yuan Yu, Seungho Lee, Cheng Chang, Jérémy David, Tanmoy Ghosh, et al. “Defect Engineering in Solution-Processed Polycrystalline SnSe Leads to High Thermoelectric Performance.” <i>ACS Nano</i>. American Chemical Society , 2022. <a href=\"https://doi.org/10.1021/acsnano.1c06720\">https://doi.org/10.1021/acsnano.1c06720</a>.","ista":"Liu Y, Calcabrini M, Yu Y, Lee S, Chang C, David J, Ghosh T, Spadaro MC, Xie C, Cojocaru-Mirédin O, Arbiol J, Ibáñez M. 2022. Defect engineering in solution-processed polycrystalline SnSe leads to high thermoelectric performance. ACS Nano. 16(1), 78–88.","ieee":"Y. Liu <i>et al.</i>, “Defect engineering in solution-processed polycrystalline SnSe leads to high thermoelectric performance,” <i>ACS Nano</i>, vol. 16, no. 1. American Chemical Society , pp. 78–88, 2022.","ama":"Liu Y, Calcabrini M, Yu Y, et al. Defect engineering in solution-processed polycrystalline SnSe leads to high thermoelectric performance. <i>ACS Nano</i>. 2022;16(1):78-88. doi:<a href=\"https://doi.org/10.1021/acsnano.1c06720\">10.1021/acsnano.1c06720</a>","apa":"Liu, Y., Calcabrini, M., Yu, Y., Lee, S., Chang, C., David, J., … Ibáñez, M. (2022). Defect engineering in solution-processed polycrystalline SnSe leads to high thermoelectric performance. <i>ACS Nano</i>. American Chemical Society . <a href=\"https://doi.org/10.1021/acsnano.1c06720\">https://doi.org/10.1021/acsnano.1c06720</a>","short":"Y. Liu, M. Calcabrini, Y. Yu, S. Lee, C. Chang, J. David, T. Ghosh, M.C. Spadaro, C. Xie, O. Cojocaru-Mirédin, J. Arbiol, M. Ibáñez, ACS Nano 16 (2022) 78–88."},"ec_funded":1,"title":"Defect engineering in solution-processed polycrystalline SnSe leads to high thermoelectric performance","publication":"ACS Nano","quality_controlled":"1","department":[{"_id":"MaIb"}],"intvolume":"        16","status":"public","publisher":"American Chemical Society ","isi":1,"month":"01","date_created":"2021-09-24T07:55:12Z","page":"78-88","external_id":{"pmid":["34549956"],"isi":["000767223400008"]},"scopus_import":"1","date_updated":"2023-08-02T14:41:05Z","user_id":"4359f0d1-fa6c-11eb-b949-802e58b17ae8","publication_identifier":{"issn":["1936-0851"],"eissn":["1936-086X"]},"article_type":"original","year":"2022","has_accepted_license":"1","oa_version":"Published Version","file_date_updated":"2022-03-02T16:17:29Z","tmp":{"legal_code_url":"https://creativecommons.org/licenses/by/4.0/legalcode","name":"Creative Commons Attribution 4.0 International Public License (CC-BY 4.0)","image":"/images/cc_by.png","short":"CC BY (4.0)"},"volume":16,"publication_status":"published","oa":1,"file":[{"checksum":"74f9c1aa5f95c0b992a4328e8e0247b4","date_updated":"2022-03-02T16:17:29Z","access_level":"open_access","file_name":"2022_ACSNano_Liu.pdf","file_size":9050764,"creator":"cchlebak","date_created":"2022-03-02T16:17:29Z","success":1,"content_type":"application/pdf","file_id":"10808","relation":"main_file"}],"_id":"10042","abstract":[{"lang":"eng","text":"SnSe has emerged as one of the most promising materials for thermoelectric energy conversion due to its extraordinary performance in its single-crystal form and its low-cost constituent elements. However, to achieve an economic impact, the polycrystalline counterpart needs to replicate the performance of the single crystal. Herein, we optimize the thermoelectric performance of polycrystalline SnSe produced by consolidating solution-processed and surface-engineered SnSe particles. In particular, the SnSe particles are coated with CdSe molecular complexes that crystallize during the sintering process, forming CdSe nanoparticles. The presence of CdSe nanoparticles inhibits SnSe grain growth during the consolidation step due to Zener pinning, yielding a material with a high density of grain boundaries. Moreover, the resulting SnSe–CdSe nanocomposites present a large number of defects at different length scales, which significantly reduce the thermal conductivity. The produced SnSe–CdSe nanocomposites exhibit thermoelectric figures of merit up to 2.2 at 786 K, which is among the highest reported for solution-processed SnSe."}],"date_published":"2022-01-25T00:00:00Z","article_processing_charge":"Yes (via OA deal)","issue":"1"},{"department":[{"_id":"MaIb"}],"quality_controlled":"1","publication":"Chemical Engineering Journal","intvolume":"       433","status":"public","publisher":"Elsevier","isi":1,"month":"04","date_created":"2021-12-19T23:01:33Z","language":[{"iso":"eng"}],"doi":"10.1016/j.cej.2021.133837","acknowledgement":"This work was supported by the European Regional Development Funds. MYL, YZ, DWY and KX thank the China Scholarship Council for scholarship support. YL acknowledges funding from the European Union's Horizon 2020 research and innovation program under the Marie Sklodowska-Curie grant agreement No. 754411 and the funding for scientific research startup of Hefei University of Technology (No. 13020-03712021049). MI acknowledges funding from IST Austria and the Werner Siemens Foundation. CC acknowledges funding from the FWF “Lise Meitner Fellowship” grant agreement M 2889-N. TZ has received funding from the CSC-UAB PhD scholarship program. ICN2 acknowledges funding from Generalitat de Catalunya 2017 SGR 327. ICN2 thanks support from the project NANOGEN (PID2020-116093RB-C43), funded by MCIN/ AEI/10.13039/501100011033/. ICN2 is supported by the Severo Ochoa program from Spanish MINECO (Grant No. SEV-2017-0706) and is funded by the CERCA Programme / Generalitat de Catalunya. Part of the present work has been performed in the framework of Universitat Autònoma de Barcelona Materials Science PhD program.","project":[{"name":"ISTplus - Postdoctoral Fellowships","grant_number":"754411","_id":"260C2330-B435-11E9-9278-68D0E5697425","call_identifier":"H2020"},{"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"}],"day":"01","type":"journal_article","author":[{"last_name":"Li","first_name":"Mengyao","full_name":"Li, Mengyao"},{"first_name":"Yu","full_name":"Liu, Yu","last_name":"Liu","id":"2A70014E-F248-11E8-B48F-1D18A9856A87","orcid":"0000-0001-7313-6740"},{"last_name":"Zhang","first_name":"Yu","full_name":"Zhang, Yu"},{"orcid":"0000-0002-9515-4277","id":"9E331C2E-9F27-11E9-AE48-5033E6697425","first_name":"Cheng","full_name":"Chang, Cheng","last_name":"Chang"},{"full_name":"Zhang, Ting","first_name":"Ting","last_name":"Zhang"},{"last_name":"Yang","first_name":"Dawei","full_name":"Yang, Dawei"},{"last_name":"Xiao","full_name":"Xiao, Ke","first_name":"Ke"},{"last_name":"Arbiol","full_name":"Arbiol, Jordi","first_name":"Jordi"},{"first_name":"Maria","full_name":"Ibáñez, Maria","last_name":"Ibáñez","orcid":"0000-0001-5013-2843","id":"43C61214-F248-11E8-B48F-1D18A9856A87"},{"full_name":"Cabot, Andreu","first_name":"Andreu","last_name":"Cabot"}],"ec_funded":1,"citation":{"mla":"Li, Mengyao, et al. “Room Temperature Aqueous-Based Synthesis of Copper-Doped Lead Sulfide Nanoparticles for Thermoelectric Application.” <i>Chemical Engineering Journal</i>, vol. 433, 133837, Elsevier, 2022, doi:<a href=\"https://doi.org/10.1016/j.cej.2021.133837\">10.1016/j.cej.2021.133837</a>.","ieee":"M. Li <i>et al.</i>, “Room temperature aqueous-based synthesis of copper-doped lead sulfide nanoparticles for thermoelectric application,” <i>Chemical Engineering Journal</i>, vol. 433. Elsevier, 2022.","ista":"Li M, Liu Y, Zhang Y, Chang C, Zhang T, Yang D, Xiao K, Arbiol J, Ibáñez M, Cabot A. 2022. Room temperature aqueous-based synthesis of copper-doped lead sulfide nanoparticles for thermoelectric application. Chemical Engineering Journal. 433, 133837.","chicago":"Li, Mengyao, Yu Liu, Yu Zhang, Cheng Chang, Ting Zhang, Dawei Yang, Ke Xiao, Jordi Arbiol, Maria Ibáñez, and Andreu Cabot. “Room Temperature Aqueous-Based Synthesis of Copper-Doped Lead Sulfide Nanoparticles for Thermoelectric Application.” <i>Chemical Engineering Journal</i>. Elsevier, 2022. <a href=\"https://doi.org/10.1016/j.cej.2021.133837\">https://doi.org/10.1016/j.cej.2021.133837</a>.","apa":"Li, M., Liu, Y., Zhang, Y., Chang, C., Zhang, T., Yang, D., … Cabot, A. (2022). Room temperature aqueous-based synthesis of copper-doped lead sulfide nanoparticles for thermoelectric application. <i>Chemical Engineering Journal</i>. Elsevier. <a href=\"https://doi.org/10.1016/j.cej.2021.133837\">https://doi.org/10.1016/j.cej.2021.133837</a>","ama":"Li M, Liu Y, Zhang Y, et al. Room temperature aqueous-based synthesis of copper-doped lead sulfide nanoparticles for thermoelectric application. <i>Chemical Engineering Journal</i>. 2022;433. doi:<a href=\"https://doi.org/10.1016/j.cej.2021.133837\">10.1016/j.cej.2021.133837</a>","short":"M. Li, Y. Liu, Y. Zhang, C. Chang, T. Zhang, D. Yang, K. Xiao, J. Arbiol, M. Ibáñez, A. Cabot, Chemical Engineering Journal 433 (2022)."},"title":"Room temperature aqueous-based synthesis of copper-doped lead sulfide nanoparticles for thermoelectric application","volume":433,"publication_status":"published","oa":1,"main_file_link":[{"url":"https://ddd.uab.cat/pub/artpub/2022/270830/10.1016j.cej.2021.133837.pdf","open_access":"1"}],"article_number":"133837","_id":"10566","date_published":"2022-04-01T00:00:00Z","abstract":[{"text":"A versatile, scalable, room temperature and surfactant-free route for the synthesis of metal chalcogenide nanoparticles in aqueous solution is detailed here for the production of PbS and Cu-doped PbS nanoparticles. Subsequently, nanoparticles are annealed in a reducing atmosphere to remove surface oxide, and consolidated into dense polycrystalline materials by means of spark plasma sintering. By characterizing the transport properties of the sintered material, we observe the annealing step and the incorporation of Cu to play a key role in promoting the thermoelectric performance of PbS. The presence of Cu allows improving the electrical conductivity by increasing the charge carrier concentration and simultaneously maintaining a large charge carrier mobility, which overall translates into record power factors at ambient temperature, 2.3 mWm-1K−2. Simultaneously, the lattice thermal conductivity decreases with the introduction of Cu, leading to a record high ZT = 0.37 at room temperature and ZT = 1.22 at 773 K. Besides, a record average ZTave = 0.76 is demonstrated in the temperature range 320–773 K for n-type Pb0.955Cu0.045S.","lang":"eng"}],"article_processing_charge":"No","user_id":"2DF688A6-F248-11E8-B48F-1D18A9856A87","date_updated":"2023-10-03T10:14:34Z","scopus_import":"1","external_id":{"isi":["000773425200006"]},"publication_identifier":{"issn":["1385-8947"]},"article_type":"original","oa_version":"Submitted Version","year":"2022"},{"acknowledgement":"This work was financially supported by IST Austria and the Werner Siemens Foundation. M.C. has received funding from the European Union’s Horizon 2020 research and innovation programme under the Marie Skłodowska-Curie Grant Agreement No. 665385. The work was also financially supported by University of Basel, SNSF NCCR Molecular Systems Engineering (project number: 182895) and SNSF R’equip (project number: 189622). J.L. is a Serra Húnter Fellow and is grateful to ICREA Academia program and MICINN/FEDER RTI2018-093996-B-C31 and GC 2017 SGR 128 projects.","related_material":{"record":[{"relation":"dissertation_contains","id":"12885","status":"public"}],"link":[{"url":"https://doi.org/10.26434/chemrxiv-2021-cn2fr","relation":"earlier_version"}]},"project":[{"grant_number":"665385","name":"International IST Doctoral Program","call_identifier":"H2020","_id":"2564DBCA-B435-11E9-9278-68D0E5697425"},{"name":"HighTE: The Werner Siemens Laboratory for the High Throughput Discovery of Semiconductors for Waste Heat Recovery","_id":"9B8F7476-BA93-11EA-9121-9846C619BF3A"},{"_id":"B67AFEDC-15C9-11EA-A837-991A96BB2854","name":"IST Austria Open Access Fund"}],"language":[{"iso":"eng"}],"keyword":["general medicine"],"doi":"10.1021/jacsau.1c00349","ddc":["540"],"ec_funded":1,"citation":{"chicago":"Calcabrini, Mariano, Dietger Van den Eynden, Sergi Sanchez Ribot, Rohan Pokratath, Jordi Llorca, Jonathan De Roo, and Maria Ibáñez. “Ligand Conversion in Nanocrystal Synthesis: The Oxidation of Alkylamines to Fatty Acids by Nitrate.” <i>JACS Au</i>. American Chemical Society, 2021. <a href=\"https://doi.org/10.1021/jacsau.1c00349\">https://doi.org/10.1021/jacsau.1c00349</a>.","ista":"Calcabrini M, Van den Eynden D, Sanchez Ribot S, Pokratath R, Llorca J, De Roo J, Ibáñez M. 2021. Ligand conversion in nanocrystal synthesis: The oxidation of alkylamines to fatty acids by nitrate. JACS Au. 1(11), 1898–1903.","ieee":"M. Calcabrini <i>et al.</i>, “Ligand conversion in nanocrystal synthesis: The oxidation of alkylamines to fatty acids by nitrate,” <i>JACS Au</i>, vol. 1, no. 11. American Chemical Society, pp. 1898–1903, 2021.","mla":"Calcabrini, Mariano, et al. “Ligand Conversion in Nanocrystal Synthesis: The Oxidation of Alkylamines to Fatty Acids by Nitrate.” <i>JACS Au</i>, vol. 1, no. 11, American Chemical Society, 2021, pp. 1898–903, doi:<a href=\"https://doi.org/10.1021/jacsau.1c00349\">10.1021/jacsau.1c00349</a>.","short":"M. Calcabrini, D. Van den Eynden, S. Sanchez Ribot, R. Pokratath, J. Llorca, J. De Roo, M. Ibáñez, JACS Au 1 (2021) 1898–1903.","ama":"Calcabrini M, Van den Eynden D, Sanchez Ribot S, et al. Ligand conversion in nanocrystal synthesis: The oxidation of alkylamines to fatty acids by nitrate. <i>JACS Au</i>. 2021;1(11):1898-1903. doi:<a href=\"https://doi.org/10.1021/jacsau.1c00349\">10.1021/jacsau.1c00349</a>","apa":"Calcabrini, M., Van den Eynden, D., Sanchez Ribot, S., Pokratath, R., Llorca, J., De Roo, J., &#38; Ibáñez, M. (2021). Ligand conversion in nanocrystal synthesis: The oxidation of alkylamines to fatty acids by nitrate. <i>JACS Au</i>. American Chemical Society. <a href=\"https://doi.org/10.1021/jacsau.1c00349\">https://doi.org/10.1021/jacsau.1c00349</a>"},"title":"Ligand conversion in nanocrystal synthesis: The oxidation of alkylamines to fatty acids by nitrate","day":"22","author":[{"id":"45D7531A-F248-11E8-B48F-1D18A9856A87","full_name":"Calcabrini, Mariano","first_name":"Mariano","last_name":"Calcabrini"},{"first_name":"Dietger","full_name":"Van den Eynden, Dietger","last_name":"Van den Eynden"},{"id":"ddae5a59-f6e0-11ea-865d-d9dc61e77a2a","last_name":"Sanchez Ribot","full_name":"Sanchez Ribot, Sergi","first_name":"Sergi"},{"last_name":"Pokratath","full_name":"Pokratath, Rohan","first_name":"Rohan"},{"full_name":"Llorca, Jordi","first_name":"Jordi","last_name":"Llorca"},{"last_name":"De Roo","full_name":"De Roo, Jonathan","first_name":"Jonathan"},{"first_name":"Maria","full_name":"Ibáñez, Maria","last_name":"Ibáñez","orcid":"0000-0001-5013-2843","id":"43C61214-F248-11E8-B48F-1D18A9856A87"}],"type":"journal_article","publisher":"American Chemical Society","quality_controlled":"1","department":[{"_id":"MaIb"}],"publication":"JACS Au","status":"public","intvolume":"         1","page":"1898-1903","month":"11","date_created":"2022-03-02T15:24:16Z","date_updated":"2023-05-05T08:45:36Z","user_id":"8b945eb4-e2f2-11eb-945a-df72226e66a9","publication_identifier":{"issn":["2691-3704"],"eissn":["2691-3704"]},"article_type":"original","year":"2021","oa_version":"Published Version","has_accepted_license":"1","publication_status":"published","oa":1,"file_date_updated":"2022-03-02T15:33:18Z","volume":1,"tmp":{"legal_code_url":"https://creativecommons.org/licenses/by/4.0/legalcode","name":"Creative Commons Attribution 4.0 International Public License (CC-BY 4.0)","image":"/images/cc_by.png","short":"CC BY (4.0)"},"issue":"11","article_processing_charge":"Yes (via OA deal)","file":[{"date_created":"2022-03-02T15:33:18Z","success":1,"relation":"main_file","file_id":"10807","content_type":"application/pdf","checksum":"1c66a35369e911312a359111420318a9","access_level":"open_access","date_updated":"2022-03-02T15:33:18Z","creator":"cchlebak","file_size":1257973,"file_name":"2021_JACSAu_Calcabrini.pdf"}],"_id":"10806","abstract":[{"text":"Ligands are a fundamental part of nanocrystals. They control and direct nanocrystal syntheses and provide colloidal stability. Bound ligands also affect the nanocrystals’ chemical reactivity and electronic structure. Surface chemistry is thus crucial to understand nanocrystal properties and functionality. Here, we investigate the synthesis of metal oxide nanocrystals (CeO2-x, ZnO, and NiO) from metal nitrate precursors, in the presence of oleylamine ligands. Surprisingly, the nanocrystals are capped exclusively with a fatty acid instead of oleylamine. Analysis of the reaction mixtures with nuclear magnetic resonance spectroscopy revealed several reaction byproducts and intermediates that are common to the decomposition of Ce, Zn, Ni, and Zr nitrate precursors. Our evidence supports the oxidation of alkylamine and formation of a carboxylic acid, thus unraveling this counterintuitive surface chemistry.","lang":"eng"}],"date_published":"2021-11-22T00:00:00Z"},{"date_updated":"2023-08-14T07:25:27Z","user_id":"4359f0d1-fa6c-11eb-b949-802e58b17ae8","scopus_import":"1","external_id":{"pmid":["34626034"],"isi":["000709899300001"]},"acknowledged_ssus":[{"_id":"EM-Fac"},{"_id":"NanoFab"}],"publication_identifier":{"eissn":["1521-4095"],"issn":["0935-9648"]},"article_type":"original","year":"2021","oa_version":"Published Version","has_accepted_license":"1","publication_status":"published","oa":1,"file_date_updated":"2022-02-03T13:16:14Z","volume":33,"tmp":{"legal_code_url":"https://creativecommons.org/licenses/by/4.0/legalcode","name":"Creative Commons Attribution 4.0 International Public License (CC-BY 4.0)","image":"/images/cc_by.png","short":"CC BY (4.0)"},"issue":"52","article_processing_charge":"Yes (via OA deal)","file":[{"content_type":"application/pdf","relation":"main_file","file_id":"10720","success":1,"date_created":"2022-02-03T13:16:14Z","file_name":"2021_AdvancedMaterials_Liu.pdf","creator":"cchlebak","file_size":5595666,"date_updated":"2022-02-03T13:16:14Z","access_level":"open_access","checksum":"990bccc527c64d85cf1c97885110b5f4"}],"article_number":"2106858","abstract":[{"text":"Solution synthesis of particles emerged as an alternative to prepare thermoelectric materials with less demanding processing conditions than conventional solid-state synthetic methods. However, solution synthesis generally involves the presence of additional molecules or ions belonging to the precursors or added to enable solubility and/or regulate nucleation and growth. These molecules or ions can end up in the particles as surface adsorbates and interfere in the material properties. This work demonstrates that ionic adsorbates, in particular Na⁺ ions, are electrostatically adsorbed in SnSe particles synthesized in water and play a crucial role not only in directing the material nano/microstructure but also in determining the transport properties of the consolidated material. In dense pellets prepared by sintering SnSe particles, Na remains within the crystal lattice as dopant, in dislocations, precipitates, and forming grain boundary complexions. These results highlight the importance of considering all the possible unintentional impurities to establish proper structure-property relationships and control material properties in solution-processed thermoelectric materials.","lang":"eng"}],"_id":"10123","date_published":"2021-12-29T00:00:00Z","acknowledgement":"Y.L. and M.C. contributed equally to this work. This research was supported by the Scientific Service Units (SSU) of IST Austria through resources provided by Electron Microscopy Facility (EMF) and the Nanofabrication Facility (NNF). This work was financially supported by IST Austria and the Werner Siemens Foundation. Y.L. acknowledges funding from the European Union's Horizon 2020 research and innovation program under the Marie Sklodowska-Curie grant agreement No. 754411. M.C. has received funding from the European Union's Horizon 2020 research and innovation program under the Marie Skłodowska-Curie Grant Agreement No. 665385. Y.Y. and O.C.-M. acknowledge the financial support from DFG within the project SFB 917: Nanoswitches. J.L. is a Serra Húnter Fellow and is grateful to ICREA Academia program. C.C. acknowledges funding from the FWF “Lise Meitner Fellowship” grant agreement M 2889-N.","pmid":1,"related_material":{"record":[{"status":"public","id":"12885","relation":"dissertation_contains"}]},"project":[{"_id":"2564DBCA-B435-11E9-9278-68D0E5697425","call_identifier":"H2020","grant_number":"665385","name":"International IST Doctoral Program"},{"grant_number":"754411","name":"ISTplus - Postdoctoral Fellowships","call_identifier":"H2020","_id":"260C2330-B435-11E9-9278-68D0E5697425"},{"name":"Bottom-up Engineering for Thermoelectric Applications","grant_number":"M02889","_id":"9B8804FC-BA93-11EA-9121-9846C619BF3A"},{"name":"HighTE: The Werner Siemens Laboratory for the High Throughput Discovery of Semiconductors for Waste Heat Recovery","_id":"9B8F7476-BA93-11EA-9121-9846C619BF3A"}],"language":[{"iso":"eng"}],"keyword":["mechanical engineering","mechanics of materials","general materials science"],"doi":"10.1002/adma.202106858","ddc":["620"],"ec_funded":1,"citation":{"mla":"Liu, Yu, et al. “The Importance of Surface Adsorbates in Solution‐processed Thermoelectric Materials: The Case of SnSe.” <i>Advanced Materials</i>, vol. 33, no. 52, 2106858, Wiley, 2021, doi:<a href=\"https://doi.org/10.1002/adma.202106858\">10.1002/adma.202106858</a>.","chicago":"Liu, Yu, Mariano Calcabrini, Yuan Yu, Aziz Genç, Cheng Chang, Tommaso Costanzo, Tobias Kleinhanns, et al. “The Importance of Surface Adsorbates in Solution‐processed Thermoelectric Materials: The Case of SnSe.” <i>Advanced Materials</i>. Wiley, 2021. <a href=\"https://doi.org/10.1002/adma.202106858\">https://doi.org/10.1002/adma.202106858</a>.","ieee":"Y. Liu <i>et al.</i>, “The importance of surface adsorbates in solution‐processed thermoelectric materials: The case of SnSe,” <i>Advanced Materials</i>, vol. 33, no. 52. Wiley, 2021.","ista":"Liu Y, Calcabrini M, Yu Y, Genç A, Chang C, Costanzo T, Kleinhanns T, Lee S, Llorca J, Cojocaru‐Mirédin O, Ibáñez M. 2021. The importance of surface adsorbates in solution‐processed thermoelectric materials: The case of SnSe. Advanced Materials. 33(52), 2106858.","ama":"Liu Y, Calcabrini M, Yu Y, et al. The importance of surface adsorbates in solution‐processed thermoelectric materials: The case of SnSe. <i>Advanced Materials</i>. 2021;33(52). doi:<a href=\"https://doi.org/10.1002/adma.202106858\">10.1002/adma.202106858</a>","apa":"Liu, Y., Calcabrini, M., Yu, Y., Genç, A., Chang, C., Costanzo, T., … Ibáñez, M. (2021). The importance of surface adsorbates in solution‐processed thermoelectric materials: The case of SnSe. <i>Advanced Materials</i>. Wiley. <a href=\"https://doi.org/10.1002/adma.202106858\">https://doi.org/10.1002/adma.202106858</a>","short":"Y. Liu, M. Calcabrini, Y. Yu, A. Genç, C. Chang, T. Costanzo, T. Kleinhanns, S. Lee, J. Llorca, O. Cojocaru‐Mirédin, M. Ibáñez, Advanced Materials 33 (2021)."},"title":"The importance of surface adsorbates in solution‐processed thermoelectric materials: The case of SnSe","day":"29","author":[{"id":"2A70014E-F248-11E8-B48F-1D18A9856A87","orcid":"0000-0001-7313-6740","last_name":"Liu","full_name":"Liu, Yu","first_name":"Yu"},{"id":"45D7531A-F248-11E8-B48F-1D18A9856A87","orcid":"0000-0003-4566-5877","full_name":"Calcabrini, Mariano","first_name":"Mariano","last_name":"Calcabrini"},{"full_name":"Yu, Yuan","first_name":"Yuan","last_name":"Yu"},{"full_name":"Genç, Aziz","first_name":"Aziz","last_name":"Genç"},{"full_name":"Chang, Cheng","first_name":"Cheng","last_name":"Chang","orcid":"0000-0002-9515-4277","id":"9E331C2E-9F27-11E9-AE48-5033E6697425"},{"last_name":"Costanzo","first_name":"Tommaso","full_name":"Costanzo, Tommaso","id":"D93824F4-D9BA-11E9-BB12-F207E6697425","orcid":"0000-0001-9732-3815"},{"id":"8BD9DE16-AB3C-11E9-9C8C-2A03E6697425","last_name":"Kleinhanns","first_name":"Tobias","full_name":"Kleinhanns, Tobias"},{"orcid":"0000-0002-6962-8598","id":"BB243B88-D767-11E9-B658-BC13E6697425","first_name":"Seungho","full_name":"Lee, Seungho","last_name":"Lee"},{"last_name":"Llorca","full_name":"Llorca, Jordi","first_name":"Jordi"},{"last_name":"Cojocaru‐Mirédin","first_name":"Oana","full_name":"Cojocaru‐Mirédin, Oana"},{"last_name":"Ibáñez","full_name":"Ibáñez, Maria","first_name":"Maria","orcid":"0000-0001-5013-2843","id":"43C61214-F248-11E8-B48F-1D18A9856A87"}],"type":"journal_article","publisher":"Wiley","isi":1,"department":[{"_id":"EM-Fac"},{"_id":"MaIb"}],"quality_controlled":"1","publication":"Advanced Materials","status":"public","intvolume":"        33","month":"12","date_created":"2021-10-11T20:07:24Z"},{"volume":13,"main_file_link":[{"url":"https://upcommons.upc.edu/bitstream/2117/363528/1/Pb%20mengyao.pdf","open_access":"1"}],"oa":1,"publication_status":"published","abstract":[{"text":"Composite materials offer numerous advantages in a wide range of applications, including thermoelectrics. Here, semiconductor–metal composites are produced by just blending nanoparticles of a sulfide semiconductor obtained in aqueous solution and at room temperature with a metallic Cu powder. The obtained blend is annealed in a reducing atmosphere and afterward consolidated into dense polycrystalline pellets through spark plasma sintering (SPS). We observe that, during the annealing process, the presence of metallic copper activates a partial reduction of the PbS, resulting in the formation of PbS–Pb–CuxS composites. The presence of metallic lead during the SPS process habilitates the liquid-phase sintering of the composite. Besides, by comparing the transport properties of PbS, the PbS–Pb–CuxS composites, and PbS–CuxS composites obtained by blending PbS and CuxS nanoparticles, we demonstrate that the presence of metallic lead decisively contributes to a strong increase of the charge carrier concentration through spillover of charge carriers enabled by the low work function of lead. The increase in charge carrier concentration translates into much higher electrical conductivities and moderately lower Seebeck coefficients. These properties translate into power factors up to 2.1 mW m–1 K–2 at ambient temperature, well above those of PbS and PbS + CuxS. Additionally, the presence of multiple phases in the final composite results in a notable decrease in the lattice thermal conductivity. Overall, the introduction of metallic copper in the initial blend results in a significant improvement of the thermoelectric performance of PbS, reaching a dimensionless thermoelectric figure of merit ZT = 1.1 at 750 K, which represents about a 400% increase over bare PbS. Besides, an average ZTave = 0.72 in the temperature range 320–773 K is demonstrated.","lang":"eng"}],"_id":"10327","date_published":"2021-10-19T00:00:00Z","issue":"43","article_processing_charge":"No","publication_identifier":{"issn":["1944-8244"],"eissn":["1944-8252"]},"date_updated":"2023-10-03T09:55:33Z","user_id":"2DF688A6-F248-11E8-B48F-1D18A9856A87","external_id":{"isi":["000715852100070"],"pmid":["34665616"]},"scopus_import":"1","year":"2021","oa_version":"Submitted Version","article_type":"original","status":"public","intvolume":"        13","department":[{"_id":"MaIb"}],"quality_controlled":"1","publication":"ACS Applied Materials and Interfaces","isi":1,"publisher":"American Chemical Society ","date_created":"2021-11-21T23:01:30Z","month":"10","page":"51373–51382","doi":"10.1021/acsami.1c15609","language":[{"iso":"eng"}],"keyword":["CuxS","PbS","energy conversion","nanocomposite","nanoparticle","solution synthesis","thermoelectric"],"acknowledgement":"This work was supported by the European Regional Development Funds. M.L., Y.Z., X.H., and K.X. thank the China Scholarship Council for scholarship support. M. I. has been financially supported by IST Austria and the Werner Siemens Foundation. Y.L. acknowledges funding from the European Union’s Horizon 2020 research and innovation program under the Marie Sklodowska-Curie grant agreement No. 754411. J.L. is a Serra Húnter fellow and is grateful to ICREA Academia program and projects MICINN/FEDER RTI2018-093996-B-C31 and GC 2017 SGR 128. ICN2 acknowledges funding from Generalitat de Catalunya 2017 SGR 327 and the Spanish MINECO project NANOGEN (PID2020-116093RB-C43). ICN2 was supported by the Severo Ochoa program from Spanish MINECO (grant no. SEV-2017-0706) and was funded by the CERCA Programme/Generalitat de Catalunya. X.H. thanks China Scholarship Council for scholarship support (201804910551). Part of the present work was performed in the framework of Universitat Autònoma de Barcelona Materials Science Ph.D. program.","pmid":1,"project":[{"name":"ISTplus - Postdoctoral Fellowships","grant_number":"754411","_id":"260C2330-B435-11E9-9278-68D0E5697425","call_identifier":"H2020"},{"name":"HighTE: The Werner Siemens Laboratory for the High Throughput Discovery of Semiconductors for Waste Heat Recovery","_id":"9B8F7476-BA93-11EA-9121-9846C619BF3A"}],"type":"journal_article","author":[{"full_name":"Li, Mengyao","first_name":"Mengyao","last_name":"Li"},{"last_name":"Liu","full_name":"Liu, Yu","first_name":"Yu","id":"2A70014E-F248-11E8-B48F-1D18A9856A87","orcid":"0000-0001-7313-6740"},{"last_name":"Zhang","first_name":"Yu","full_name":"Zhang, Yu"},{"last_name":"Han","full_name":"Han, Xu","first_name":"Xu"},{"last_name":"Xiao","first_name":"Ke","full_name":"Xiao, Ke"},{"last_name":"Nabahat","full_name":"Nabahat, Mehran","first_name":"Mehran"},{"full_name":"Arbiol, Jordi","first_name":"Jordi","last_name":"Arbiol"},{"full_name":"Llorca, Jordi","first_name":"Jordi","last_name":"Llorca"},{"orcid":"0000-0001-5013-2843","id":"43C61214-F248-11E8-B48F-1D18A9856A87","last_name":"Ibáñez","full_name":"Ibáñez, Maria","first_name":"Maria"},{"full_name":"Cabot, Andreu","first_name":"Andreu","last_name":"Cabot"}],"day":"19","title":"PbS–Pb–CuxS composites for thermoelectric application","ec_funded":1,"citation":{"short":"M. Li, Y. Liu, Y. Zhang, X. Han, K. Xiao, M. Nabahat, J. Arbiol, J. Llorca, M. Ibáñez, A. Cabot, ACS Applied Materials and Interfaces 13 (2021) 51373–51382.","ama":"Li M, Liu Y, Zhang Y, et al. PbS–Pb–CuxS composites for thermoelectric application. <i>ACS Applied Materials and Interfaces</i>. 2021;13(43):51373–51382. doi:<a href=\"https://doi.org/10.1021/acsami.1c15609\">10.1021/acsami.1c15609</a>","apa":"Li, M., Liu, Y., Zhang, Y., Han, X., Xiao, K., Nabahat, M., … Cabot, A. (2021). PbS–Pb–CuxS composites for thermoelectric application. <i>ACS Applied Materials and Interfaces</i>. American Chemical Society . <a href=\"https://doi.org/10.1021/acsami.1c15609\">https://doi.org/10.1021/acsami.1c15609</a>","chicago":"Li, Mengyao, Yu Liu, Yu Zhang, Xu Han, Ke Xiao, Mehran Nabahat, Jordi Arbiol, Jordi Llorca, Maria Ibáñez, and Andreu Cabot. “PbS–Pb–CuxS Composites for Thermoelectric Application.” <i>ACS Applied Materials and Interfaces</i>. American Chemical Society , 2021. <a href=\"https://doi.org/10.1021/acsami.1c15609\">https://doi.org/10.1021/acsami.1c15609</a>.","ieee":"M. Li <i>et al.</i>, “PbS–Pb–CuxS composites for thermoelectric application,” <i>ACS Applied Materials and Interfaces</i>, vol. 13, no. 43. American Chemical Society , pp. 51373–51382, 2021.","ista":"Li M, Liu Y, Zhang Y, Han X, Xiao K, Nabahat M, Arbiol J, Llorca J, Ibáñez M, Cabot A. 2021. PbS–Pb–CuxS composites for thermoelectric application. ACS Applied Materials and Interfaces. 13(43), 51373–51382.","mla":"Li, Mengyao, et al. “PbS–Pb–CuxS Composites for Thermoelectric Application.” <i>ACS Applied Materials and Interfaces</i>, vol. 13, no. 43, American Chemical Society , 2021, pp. 51373–51382, doi:<a href=\"https://doi.org/10.1021/acsami.1c15609\">10.1021/acsami.1c15609</a>."}}]