[{"day":"20","page":"26-31","quality_controlled":"1","tmp":{"name":"Creative Commons Attribution 4.0 International Public License (CC-BY 4.0)","image":"/images/cc_by.png","legal_code_url":"https://creativecommons.org/licenses/by/4.0/legalcode","short":"CC BY (4.0)"},"license":"https://creativecommons.org/licenses/by/4.0/","has_accepted_license":"1","issue":"1","publisher":"Optica Publishing Group","type":"journal_article","date_published":"2024-01-20T00:00:00Z","external_id":{"arxiv":["2202.13212"]},"keyword":["Atomic and Molecular Physics","and Optics","Electronic","Optical and Magnetic Materials"],"ddc":["530"],"language":[{"iso":"eng"}],"status":"public","month":"01","acknowledgement":"We thank Rishabh Sahu and Sebastian Wald for technical contributions to the experiment. Funding by Institute of Science and Technology Austria.","publication_identifier":{"issn":["2334-2536"]},"article_type":"original","doi":"10.1364/optica.507451","article_processing_charge":"Yes","oa_version":"Published Version","file_date_updated":"2024-01-17T08:53:16Z","title":"Laser-cavity locking utilizing beam ellipticity: accessing the 10<sup>−7</sup> instability scale relative to cavity linewidth","publication_status":"published","abstract":[{"text":"Frequency-stable lasers form the back bone of precision measurements in science and technology. Such lasers typically attain their stability through frequency locking to reference cavities. State-of-the-art locking performances to date had been achieved using frequency modulation based methods, complemented with active drift cancellation systems. We demonstrate an all passive, modulation-free laser-cavity locking technique (squash locking) that utilizes changes in spatial beam ellipticity for error signal generation, and a coherent polarization post-selection for noise resilience. By comparing two identically built proof-of-principle systems, we show a frequency locking instability of 5×10<jats:sup>−7</jats:sup> relative to the cavity linewidth at 10 s averaging. The results surpass the demonstrated performances of methods engineered over the last five decades, potentially enabling an advancement in the precision control of lasers, while creating avenues for bridging the performance gaps between industrial grade lasers with scientific ones due to the afforded simplicity and scalability.","lang":"eng"}],"year":"2024","file":[{"file_name":"2023_Optica_Diorico.pdf","access_level":"open_access","success":1,"date_created":"2024-01-17T08:53:16Z","date_updated":"2024-01-17T08:53:16Z","file_size":4558986,"relation":"main_file","file_id":"14824","creator":"dernst","content_type":"application/pdf","checksum":"eb99ca7d0fe73e22f121875175546ed7"}],"date_created":"2024-01-15T10:25:38Z","_id":"14802","user_id":"2DF688A6-F248-11E8-B48F-1D18A9856A87","author":[{"full_name":"Diorico, Fritz R","id":"2E054C4C-F248-11E8-B48F-1D18A9856A87","orcid":"0000-0002-4947-8924","last_name":"Diorico","first_name":"Fritz R"},{"id":"0f02ed6a-b514-11ee-b891-8379c5f19cb7","full_name":"Zhutov, Artem","first_name":"Artem","last_name":"Zhutov"},{"id":"4C02D85E-F248-11E8-B48F-1D18A9856A87","orcid":"0000-0002-2031-204X","full_name":"Hosten, Onur","first_name":"Onur","last_name":"Hosten"}],"volume":11,"oa":1,"intvolume":"        11","arxiv":1,"date_updated":"2024-08-19T09:52:20Z","publication":"Optica","department":[{"_id":"OnHo"}]},{"language":[{"iso":"eng"}],"keyword":["Electrical and Electronic Engineering","Materials Chemistry","Electrochemistry","Energy Engineering and Power Technology","Chemical Engineering (miscellaneous)"],"month":"01","isi":1,"status":"public","publisher":"American Chemical Society","date_published":"2024-01-08T00:00:00Z","external_id":{"isi":["001138342900001"],"oaworkID":["w4389780443"]},"type":"journal_article","issue":"1","page":"214-229","day":"08","quality_controlled":"1","intvolume":"         7","department":[{"_id":"MaIb"}],"publication":"ACS Applied Energy Materials","date_updated":"2025-07-22T14:07:29Z","author":[{"first_name":"Gundegowda Kalligowdanadoddi","last_name":"Kiran","full_name":"Kiran, Gundegowda Kalligowdanadoddi"},{"orcid":"0000-0003-2209-5269","id":"12d625da-9cb3-11ed-9667-af09d37d3f0a","full_name":"Singh, Saurabh","first_name":"Saurabh","last_name":"Singh"},{"full_name":"Mahato, Neelima","last_name":"Mahato","first_name":"Neelima"},{"full_name":"Sreekanth, Thupakula Venkata Madhukar","last_name":"Sreekanth","first_name":"Thupakula Venkata Madhukar"},{"full_name":"Dillip, Gowra Raghupathy","first_name":"Gowra Raghupathy","last_name":"Dillip"},{"full_name":"Yoo, Kisoo","first_name":"Kisoo","last_name":"Yoo"},{"full_name":"Kim, Jonghoon","last_name":"Kim","first_name":"Jonghoon"}],"user_id":"2DF688A6-F248-11E8-B48F-1D18A9856A87","volume":7,"year":"2024","citation":{"mla":"Kiran, Gundegowda Kalligowdanadoddi, et al. “Interface Engineering Modulation Combined with Electronic Structure Modification of Zn-Doped NiO Heterostructure for Efficient Water-Splitting Activity.” <i>ACS Applied Energy Materials</i>, vol. 7, no. 1, American Chemical Society, 2024, pp. 214–29, doi:<a href=\"https://doi.org/10.1021/acsaem.3c02519\">10.1021/acsaem.3c02519</a>.","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.” <i>ACS Applied Energy Materials</i>. American Chemical Society, 2024. <a href=\"https://doi.org/10.1021/acsaem.3c02519\">https://doi.org/10.1021/acsaem.3c02519</a>.","apa":"Kiran, G. K., Singh, S., Mahato, N., Sreekanth, T. V. M., Dillip, G. R., Yoo, K., &#38; Kim, J. (2024). Interface engineering modulation combined with electronic structure modification of Zn-doped NiO heterostructure for efficient water-splitting activity. <i>ACS Applied Energy Materials</i>. American Chemical Society. <a href=\"https://doi.org/10.1021/acsaem.3c02519\">https://doi.org/10.1021/acsaem.3c02519</a>","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.","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. <i>ACS Applied Energy Materials</i>. 2024;7(1):214-229. doi:<a href=\"https://doi.org/10.1021/acsaem.3c02519\">10.1021/acsaem.3c02519</a>","ieee":"G. K. Kiran <i>et al.</i>, “Interface engineering modulation combined with electronic structure modification of Zn-doped NiO heterostructure for efficient water-splitting activity,” <i>ACS Applied Energy Materials</i>, vol. 7, no. 1. American Chemical Society, pp. 214–229, 2024.","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."},"abstract":[{"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.","lang":"eng"}],"_id":"14828","date_created":"2024-01-17T12:48:35Z","doi":"10.1021/acsaem.3c02519","scopus_import":"1","article_type":"original","publication_identifier":{"issn":["2574-0962"]},"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.","publication_status":"published","title":"Interface engineering modulation combined with electronic structure modification of Zn-doped NiO heterostructure for efficient water-splitting activity","oa_version":"None","article_processing_charge":"No"},{"day":"20","quality_controlled":"1","tmp":{"name":"Creative Commons Attribution 4.0 International Public License (CC-BY 4.0)","image":"/images/cc_by.png","legal_code_url":"https://creativecommons.org/licenses/by/4.0/legalcode","short":"CC BY (4.0)"},"project":[{"grant_number":"101069515","name":"Integrated GermaNIum quanTum tEchnology","_id":"34c0acea-11ca-11ed-8bc3-8775e10fd452"}],"has_accepted_license":"1","issue":"5","publisher":"Elsevier","type":"journal_article","date_published":"2024-02-20T00:00:00Z","keyword":["Mechanical Engineering","Mechanics of Materials","Condensed Matter Physics","General Materials Science"],"ddc":["530"],"language":[{"iso":"eng"}],"status":"public","month":"02","acknowledgement":"The Ge project received funding from the European Union's Horizon Europe programme under the Grant Agreement 101069515 – IGNITE. Siltronic AG is acknowledged for providing the SRB wafers. This work was supported by Imec's Industrial Affiliation Program on Quantum Computing.","publication_identifier":{"issn":["1369-8001"]},"article_type":"original","main_file_link":[{"open_access":"1","url":"https://doi.org/10.1016/j.mssp.2024.108231"}],"doi":"10.1016/j.mssp.2024.108231","oa_version":"Published Version","article_processing_charge":"No","publication_status":"epub_ahead","title":"Compressively strained epitaxial Ge layers for quantum computing applications","abstract":[{"text":"The epitaxial growth of a strained Ge layer, which is a promising candidate for the channel material of a hole spin qubit, has been demonstrated on 300 mm Si wafers using commercially available Si0.3Ge0.7 strain relaxed buffer (SRB) layers. The assessment of the layer and the interface qualities for a buried strained Ge layer embedded in Si0.3Ge0.7 layers is reported. The XRD reciprocal space mapping confirmed that the reduction of the growth temperature enables the 2-dimensional growth of the Ge layer fully strained with respect to the Si0.3Ge0.7. Nevertheless, dislocations at the top and/or bottom interface of the Ge layer were observed by means of electron channeling contrast imaging, suggesting the importance of the careful dislocation assessment. The interface abruptness does not depend on the selection of the precursor gases, but it is strongly influenced by the growth temperature which affects the coverage of the surface H-passivation. The mobility of 2.7 × 105 cm2/Vs is promising, while the low percolation density of 3 × 1010 /cm2 measured with a Hall-bar device at 7 K illustrates the high quality of the heterostructure thanks to the high Si0.3Ge0.7 SRB quality.","lang":"eng"}],"citation":{"ama":"Shimura Y, Godfrin C, Hikavyy A, et al. Compressively strained epitaxial Ge layers for quantum computing applications. <i>Materials Science in Semiconductor Processing</i>. 2024;174(5). doi:<a href=\"https://doi.org/10.1016/j.mssp.2024.108231\">10.1016/j.mssp.2024.108231</a>","ieee":"Y. Shimura <i>et al.</i>, “Compressively strained epitaxial Ge layers for quantum computing applications,” <i>Materials Science in Semiconductor Processing</i>, vol. 174, no. 5. Elsevier, 2024.","ista":"Shimura Y, Godfrin C, Hikavyy A, Li R, Aguilera Servin JL, Katsaros G, Favia P, Han H, Wan D, de Greve K, Loo R. 2024. Compressively strained epitaxial Ge layers for quantum computing applications. Materials Science in Semiconductor Processing. 174(5), 108231.","apa":"Shimura, Y., Godfrin, C., Hikavyy, A., Li, R., Aguilera Servin, J. L., Katsaros, G., … Loo, R. (2024). Compressively strained epitaxial Ge layers for quantum computing applications. <i>Materials Science in Semiconductor Processing</i>. Elsevier. <a href=\"https://doi.org/10.1016/j.mssp.2024.108231\">https://doi.org/10.1016/j.mssp.2024.108231</a>","chicago":"Shimura, Yosuke, Clement Godfrin, Andriy Hikavyy, Roy Li, Juan L Aguilera Servin, Georgios Katsaros, Paola Favia, et al. “Compressively Strained Epitaxial Ge Layers for Quantum Computing Applications.” <i>Materials Science in Semiconductor Processing</i>. Elsevier, 2024. <a href=\"https://doi.org/10.1016/j.mssp.2024.108231\">https://doi.org/10.1016/j.mssp.2024.108231</a>.","short":"Y. Shimura, C. Godfrin, A. Hikavyy, R. Li, J.L. Aguilera Servin, G. Katsaros, P. Favia, H. Han, D. Wan, K. de Greve, R. Loo, Materials Science in Semiconductor Processing 174 (2024).","mla":"Shimura, Yosuke, et al. “Compressively Strained Epitaxial Ge Layers for Quantum Computing Applications.” <i>Materials Science in Semiconductor Processing</i>, vol. 174, no. 5, 108231, Elsevier, 2024, doi:<a href=\"https://doi.org/10.1016/j.mssp.2024.108231\">10.1016/j.mssp.2024.108231</a>."},"year":"2024","article_number":"108231","date_created":"2024-02-22T14:10:40Z","_id":"15018","user_id":"2DF688A6-F248-11E8-B48F-1D18A9856A87","author":[{"first_name":"Yosuke","last_name":"Shimura","full_name":"Shimura, Yosuke"},{"full_name":"Godfrin, Clement","last_name":"Godfrin","first_name":"Clement"},{"full_name":"Hikavyy, Andriy","first_name":"Andriy","last_name":"Hikavyy"},{"last_name":"Li","first_name":"Roy","full_name":"Li, Roy"},{"first_name":"Juan L","last_name":"Aguilera Servin","id":"2A67C376-F248-11E8-B48F-1D18A9856A87","orcid":"0000-0002-2862-8372","full_name":"Aguilera Servin, Juan L"},{"last_name":"Katsaros","first_name":"Georgios","full_name":"Katsaros, Georgios","id":"38DB5788-F248-11E8-B48F-1D18A9856A87","orcid":"0000-0001-8342-202X"},{"full_name":"Favia, Paola","first_name":"Paola","last_name":"Favia"},{"first_name":"Han","last_name":"Han","full_name":"Han, Han"},{"first_name":"Danny","last_name":"Wan","full_name":"Wan, Danny"},{"full_name":"de Greve, Kristiaan","last_name":"de Greve","first_name":"Kristiaan"},{"first_name":"Roger","last_name":"Loo","full_name":"Loo, Roger"}],"volume":174,"oa":1,"intvolume":"       174","date_updated":"2024-02-26T10:36:35Z","publication":"Materials Science in Semiconductor Processing","department":[{"_id":"GeKa"},{"_id":"NanoFab"}]},{"keyword":["General Physics","Electrostatics","Triboelectricity","Soft Matter","Acoustic Levitation","Granular Materials"],"language":[{"iso":"eng"}],"ddc":["530","537"],"status":"public","month":"03","isi":1,"publisher":"American Physical Society","date_published":"2023-03-03T00:00:00Z","external_id":{"isi":["000946178200008"],"arxiv":["2211.02488"]},"type":"journal_article","tmp":{"name":"Creative Commons Attribution 4.0 International Public License (CC-BY 4.0)","image":"/images/cc_by.png","legal_code_url":"https://creativecommons.org/licenses/by/4.0/legalcode","short":"CC BY (4.0)"},"has_accepted_license":"1","project":[{"name":"Tribocharge: a multi-scale approach to an enduring problem in physics","_id":"0aa60e99-070f-11eb-9043-a6de6bdc3afa","call_identifier":"H2020","grant_number":"949120"},{"call_identifier":"H2020","grant_number":"754411","name":"ISTplus - Postdoctoral Fellowships","_id":"260C2330-B435-11E9-9278-68D0E5697425"}],"issue":"9","day":"03","quality_controlled":"1","intvolume":"       130","arxiv":1,"publication":"Physical Review Letters","ec_funded":1,"date_updated":"2023-08-22T08:41:32Z","department":[{"_id":"ScWa"}],"user_id":"4359f0d1-fa6c-11eb-b949-802e58b17ae8","author":[{"full_name":"Grosjean, Galien M","id":"0C5FDA4A-9CF6-11E9-8939-FF05E6697425","orcid":"0000-0001-5154-417X","last_name":"Grosjean","first_name":"Galien M"},{"full_name":"Waitukaitis, Scott R","id":"3A1FFC16-F248-11E8-B48F-1D18A9856A87","orcid":"0000-0002-2299-3176","last_name":"Waitukaitis","first_name":"Scott R"}],"oa":1,"related_material":{"record":[{"id":"8101","status":"public","relation":"research_paper"}]},"volume":130,"abstract":[{"text":"Models for same-material contact electrification in granular media often rely on a local charge-driving parameter whose spatial variations lead to a stochastic origin for charge exchange. Measuring the charge transfer from individual granular spheres after contacts with substrates of the same material, we find instead a “global” charging behavior, coherent over the sample’s whole surface. Cleaning and baking samples fully resets charging magnitude and direction, which indicates the underlying global parameter is not intrinsic to the material, but acquired from its history. Charging behavior is randomly and irreversibly affected by changes in relative humidity, hinting at a mechanism where adsorbates, in particular, water, are fundamental to the charge-transfer process.","lang":"eng"}],"year":"2023","article_number":"098202","citation":{"ieee":"G. M. Grosjean and S. R. Waitukaitis, “Single-collision statistics reveal a global mechanism driven by sample history for contact electrification in granular media,” <i>Physical Review Letters</i>, vol. 130, no. 9. American Physical Society, 2023.","ista":"Grosjean GM, Waitukaitis SR. 2023. Single-collision statistics reveal a global mechanism driven by sample history for contact electrification in granular media. Physical Review Letters. 130(9), 098202.","ama":"Grosjean GM, Waitukaitis SR. Single-collision statistics reveal a global mechanism driven by sample history for contact electrification in granular media. <i>Physical Review Letters</i>. 2023;130(9). doi:<a href=\"https://doi.org/10.1103/physrevlett.130.098202\">10.1103/physrevlett.130.098202</a>","chicago":"Grosjean, Galien M, and Scott R Waitukaitis. “Single-Collision Statistics Reveal a Global Mechanism Driven by Sample History for Contact Electrification in Granular Media.” <i>Physical Review Letters</i>. American Physical Society, 2023. <a href=\"https://doi.org/10.1103/physrevlett.130.098202\">https://doi.org/10.1103/physrevlett.130.098202</a>.","short":"G.M. Grosjean, S.R. Waitukaitis, Physical Review Letters 130 (2023).","apa":"Grosjean, G. M., &#38; Waitukaitis, S. R. (2023). Single-collision statistics reveal a global mechanism driven by sample history for contact electrification in granular media. <i>Physical Review Letters</i>. American Physical Society. <a href=\"https://doi.org/10.1103/physrevlett.130.098202\">https://doi.org/10.1103/physrevlett.130.098202</a>","mla":"Grosjean, Galien M., and Scott R. Waitukaitis. “Single-Collision Statistics Reveal a Global Mechanism Driven by Sample History for Contact Electrification in Granular Media.” <i>Physical Review Letters</i>, vol. 130, no. 9, 098202, American Physical Society, 2023, doi:<a href=\"https://doi.org/10.1103/physrevlett.130.098202\">10.1103/physrevlett.130.098202</a>."},"_id":"12697","file":[{"checksum":"c4f2f6eea0408811f8f4898e15890355","content_type":"application/pdf","creator":"ggrosjea","file_id":"12698","relation":"main_file","date_created":"2023-02-28T12:20:27Z","date_updated":"2023-02-28T12:20:27Z","file_size":2301864,"success":1,"access_level":"open_access","file_name":"Main_Preprint.pdf"},{"content_type":"application/pdf","file_id":"12699","creator":"ggrosjea","checksum":"6af6ed6c97a977f923de4162294b43c4","access_level":"open_access","success":1,"file_name":"Suppl_info.pdf","relation":"main_file","date_updated":"2023-02-28T12:20:55Z","file_size":1138625,"date_created":"2023-02-28T12:20:55Z"},{"creator":"ggrosjea","file_id":"12700","content_type":"video/mp4","checksum":"3f20365fb9515bdba3a111d912c8d8b4","file_name":"Suppl_vid1.mp4","success":1,"access_level":"open_access","file_size":793449,"relation":"main_file","date_updated":"2023-02-28T12:37:54Z","date_created":"2023-02-28T12:37:54Z"},{"creator":"ggrosjea","file_id":"12701","content_type":"video/mp4","checksum":"90cecacbe0e2f9dea11f91a4ba20c32e","file_name":"Suppl_vid2.mp4","success":1,"access_level":"open_access","date_created":"2023-02-28T12:37:54Z","date_updated":"2023-02-28T12:37:54Z","relation":"main_file","file_size":455925}],"date_created":"2023-02-28T12:14:46Z","article_type":"original","acknowledgement":"We would like to thank Troy Shinbrot, Victor Lee and Daniele Foresti for helpful discussions. This project has received funding from the European Research Council Grant Agreement No. 949120 and from the the Marie Sk lodowska-Curie Grant Agreement No. 754411 under\r\nthe European Union’s Horizon 2020 research and innovation program.","publication_identifier":{"issn":["0031-9007"],"eissn":["1079-7114"]},"main_file_link":[{"open_access":"1","url":"https://arxiv.org/abs/2211.02488"}],"doi":"10.1103/physrevlett.130.098202","file_date_updated":"2023-02-28T12:37:54Z","article_processing_charge":"No","oa_version":"Preprint","title":"Single-collision statistics reveal a global mechanism driven by sample history for contact electrification in granular media","publication_status":"published"},{"title":"Asymmetries in triboelectric charging: Generalizing mosaic models to different-material samples and sliding contacts","publication_status":"published","file_date_updated":"2023-07-07T12:49:51Z","oa_version":"Submitted Version","article_processing_charge":"No","doi":"10.1103/physrevmaterials.7.065601","article_type":"original","acknowledgement":"This project has received funding from the European Research Council Grant Agreement No. 949120 and from\r\nthe European Union’s Horizon 2020 research and innovation program under the Marie Sklodowska-Curie Grant\r\nAgreement No. 754411. ","publication_identifier":{"issn":["2475-9953"]},"_id":"13197","file":[{"checksum":"75584730d9cdd50eeccb4c52c509776d","content_type":"application/pdf","creator":"ggrosjea","file_id":"13198","file_size":1127040,"date_updated":"2023-07-07T12:49:51Z","date_created":"2023-07-07T12:49:51Z","relation":"main_file","file_name":"Mosaic_asymmetries.pdf","access_level":"open_access","success":1}],"date_created":"2023-07-07T12:48:01Z","article_number":"065601","year":"2023","citation":{"ieee":"G. M. Grosjean and S. R. Waitukaitis, “Asymmetries in triboelectric charging: Generalizing mosaic models to different-material samples and sliding contacts,” <i>Physical Review Materials</i>, vol. 7, no. 6. American Physical Society, 2023.","ista":"Grosjean GM, Waitukaitis SR. 2023. Asymmetries in triboelectric charging: Generalizing mosaic models to different-material samples and sliding contacts. Physical Review Materials. 7(6), 065601.","ama":"Grosjean GM, Waitukaitis SR. Asymmetries in triboelectric charging: Generalizing mosaic models to different-material samples and sliding contacts. <i>Physical Review Materials</i>. 2023;7(6). doi:<a href=\"https://doi.org/10.1103/physrevmaterials.7.065601\">10.1103/physrevmaterials.7.065601</a>","mla":"Grosjean, Galien M., and Scott R. Waitukaitis. “Asymmetries in Triboelectric Charging: Generalizing Mosaic Models to Different-Material Samples and Sliding Contacts.” <i>Physical Review Materials</i>, vol. 7, no. 6, 065601, American Physical Society, 2023, doi:<a href=\"https://doi.org/10.1103/physrevmaterials.7.065601\">10.1103/physrevmaterials.7.065601</a>.","short":"G.M. Grosjean, S.R. Waitukaitis, Physical Review Materials 7 (2023).","chicago":"Grosjean, Galien M, and Scott R Waitukaitis. “Asymmetries in Triboelectric Charging: Generalizing Mosaic Models to Different-Material Samples and Sliding Contacts.” <i>Physical Review Materials</i>. American Physical Society, 2023. <a href=\"https://doi.org/10.1103/physrevmaterials.7.065601\">https://doi.org/10.1103/physrevmaterials.7.065601</a>.","apa":"Grosjean, G. M., &#38; Waitukaitis, S. R. (2023). Asymmetries in triboelectric charging: Generalizing mosaic models to different-material samples and sliding contacts. <i>Physical Review Materials</i>. American Physical Society. <a href=\"https://doi.org/10.1103/physrevmaterials.7.065601\">https://doi.org/10.1103/physrevmaterials.7.065601</a>"},"abstract":[{"text":"Nominally identical materials exchange net electric charge during contact through a mechanism that is still debated. ‘Mosaic models’, in which surfaces are presumed to consist of a random patchwork of microscopic donor/acceptor sites, offer an appealing explanation for this phenomenon. However, recent experiments have shown that global differences persist even between same-material samples, which the standard mosaic framework does not account for. Here, we expand the mosaic framework by incorporating global differences in the densities of donor/acceptor sites. We develop\r\nan analytical model, backed by numerical simulations, that smoothly connects the global and deterministic charge transfer of different materials to the local and stochastic mosaic picture normally associated with identical materials. Going further, we extend our model to explain the effect of contact asymmetries during sliding, providing a plausible explanation for reversal of charging sign that has been observed experimentally.","lang":"eng"}],"oa":1,"volume":7,"author":[{"last_name":"Grosjean","first_name":"Galien M","full_name":"Grosjean, Galien M","orcid":"0000-0001-5154-417X","id":"0C5FDA4A-9CF6-11E9-8939-FF05E6697425"},{"full_name":"Waitukaitis, Scott R","id":"3A1FFC16-F248-11E8-B48F-1D18A9856A87","orcid":"0000-0002-2299-3176","last_name":"Waitukaitis","first_name":"Scott R"}],"user_id":"4359f0d1-fa6c-11eb-b949-802e58b17ae8","department":[{"_id":"ScWa"}],"publication":"Physical Review Materials","ec_funded":1,"date_updated":"2023-08-02T06:34:47Z","arxiv":1,"intvolume":"         7","quality_controlled":"1","day":"13","issue":"6","has_accepted_license":"1","project":[{"call_identifier":"H2020","grant_number":"949120","name":"Tribocharge: a multi-scale approach to an enduring problem in physics","_id":"0aa60e99-070f-11eb-9043-a6de6bdc3afa"},{"grant_number":"754411","call_identifier":"H2020","_id":"260C2330-B435-11E9-9278-68D0E5697425","name":"ISTplus - Postdoctoral Fellowships"}],"date_published":"2023-06-13T00:00:00Z","external_id":{"arxiv":["2304.12861"],"isi":["001019565900002"]},"type":"journal_article","publisher":"American Physical Society","month":"06","isi":1,"status":"public","language":[{"iso":"eng"}],"ddc":["537"],"keyword":["Physics and Astronomy (miscellaneous)","General Materials Science"]},{"publication":"The Journal of Physical Chemistry Letters","date_updated":"2023-07-19T06:59:19Z","ec_funded":1,"department":[{"_id":"MiLe"},{"_id":"ZhAl"}],"intvolume":"        14","arxiv":1,"oa":1,"volume":14,"user_id":"2DF688A6-F248-11E8-B48F-1D18A9856A87","author":[{"first_name":"Yujing","last_name":"Wei","orcid":"0000-0001-8913-9719","id":"0c5ff007-2600-11ee-b896-98bd8d663294","full_name":"Wei, Yujing"},{"first_name":"Artem","last_name":"Volosniev","orcid":"0000-0003-0393-5525","id":"37D278BC-F248-11E8-B48F-1D18A9856A87","full_name":"Volosniev, Artem"},{"first_name":"Dusan","last_name":"Lorenc","id":"40D8A3E6-F248-11E8-B48F-1D18A9856A87","full_name":"Lorenc, Dusan"},{"last_name":"Zhumekenov","first_name":"Ayan A.","full_name":"Zhumekenov, Ayan A."},{"full_name":"Bakr, Osman M.","last_name":"Bakr","first_name":"Osman M."},{"first_name":"Mikhail","last_name":"Lemeshko","id":"37CB05FA-F248-11E8-B48F-1D18A9856A87","orcid":"0000-0002-6990-7802","full_name":"Lemeshko, Mikhail"},{"full_name":"Alpichshev, Zhanybek","id":"45E67A2A-F248-11E8-B48F-1D18A9856A87","orcid":"0000-0002-7183-5203","last_name":"Alpichshev","first_name":"Zhanybek"}],"_id":"13251","file":[{"relation":"main_file","date_updated":"2023-07-19T06:55:39Z","file_size":2121252,"date_created":"2023-07-19T06:55:39Z","file_name":"2023_JourPhysChemistry_Wei.pdf","access_level":"open_access","success":1,"checksum":"c0c040063f06a51b9c463adc504f1a23","creator":"dernst","file_id":"13253","content_type":"application/pdf"}],"date_created":"2023-07-18T11:13:17Z","abstract":[{"text":"A rotating organic cation and a dynamically disordered soft inorganic cage are the hallmark features of organic-inorganic lead-halide perovskites. Understanding the interplay between these two subsystems is a challenging problem, but it is this coupling that is widely conjectured to be responsible for the unique behavior of photocarriers in these materials. In this work, we use the fact that the polarizability of the organic cation strongly depends on the ambient electrostatic environment to put the molecule forward as a sensitive probe of the local crystal fields inside the lattice cell. We measure the average polarizability of the C/N–H bond stretching mode by means of infrared spectroscopy, which allows us to deduce the character of the motion of the cation molecule, find the magnitude of the local crystal field, and place an estimate on the strength of the hydrogen bond between the hydrogen and halide atoms. Our results pave the way for understanding electric fields in lead-halide perovskites using infrared bond spectroscopy.","lang":"eng"}],"year":"2023","citation":{"ieee":"Y. Wei <i>et al.</i>, “Bond polarizability as a probe of local crystal fields in hybrid lead-halide perovskites,” <i>The Journal of Physical Chemistry Letters</i>, vol. 14, no. 27. American Chemical Society, pp. 6309–6314, 2023.","ista":"Wei Y, Volosniev A, Lorenc D, Zhumekenov AA, Bakr OM, Lemeshko M, Alpichshev Z. 2023. Bond polarizability as a probe of local crystal fields in hybrid lead-halide perovskites. The Journal of Physical Chemistry Letters. 14(27), 6309–6314.","ama":"Wei Y, Volosniev A, Lorenc D, et al. Bond polarizability as a probe of local crystal fields in hybrid lead-halide perovskites. <i>The Journal of Physical Chemistry Letters</i>. 2023;14(27):6309-6314. doi:<a href=\"https://doi.org/10.1021/acs.jpclett.3c01158\">10.1021/acs.jpclett.3c01158</a>","short":"Y. Wei, A. Volosniev, D. Lorenc, A.A. Zhumekenov, O.M. Bakr, M. Lemeshko, Z. Alpichshev, The Journal of Physical Chemistry Letters 14 (2023) 6309–6314.","apa":"Wei, Y., Volosniev, A., Lorenc, D., Zhumekenov, A. A., Bakr, O. M., Lemeshko, M., &#38; Alpichshev, Z. (2023). Bond polarizability as a probe of local crystal fields in hybrid lead-halide perovskites. <i>The Journal of Physical Chemistry Letters</i>. American Chemical Society. <a href=\"https://doi.org/10.1021/acs.jpclett.3c01158\">https://doi.org/10.1021/acs.jpclett.3c01158</a>","chicago":"Wei, Yujing, Artem Volosniev, Dusan Lorenc, Ayan A. Zhumekenov, Osman M. Bakr, Mikhail Lemeshko, and Zhanybek Alpichshev. “Bond Polarizability as a Probe of Local Crystal Fields in Hybrid Lead-Halide Perovskites.” <i>The Journal of Physical Chemistry Letters</i>. American Chemical Society, 2023. <a href=\"https://doi.org/10.1021/acs.jpclett.3c01158\">https://doi.org/10.1021/acs.jpclett.3c01158</a>.","mla":"Wei, Yujing, et al. “Bond Polarizability as a Probe of Local Crystal Fields in Hybrid Lead-Halide Perovskites.” <i>The Journal of Physical Chemistry Letters</i>, vol. 14, no. 27, American Chemical Society, 2023, pp. 6309–14, doi:<a href=\"https://doi.org/10.1021/acs.jpclett.3c01158\">10.1021/acs.jpclett.3c01158</a>."},"file_date_updated":"2023-07-19T06:55:39Z","oa_version":"Published Version","article_processing_charge":"Yes (via OA deal)","title":"Bond polarizability as a probe of local crystal fields in hybrid lead-halide perovskites","publication_status":"published","article_type":"original","publication_identifier":{"eissn":["1948-7185"]},"acknowledgement":"We thank Bingqing Cheng and Hong-Zhou Ye for valuable discussions; Y.W.’s work at IST Austria was supported through ISTernship summer internship program funded by OeADGmbH; D.L. and Z.A. acknowledge support by IST Austria (ISTA); M.L. acknowledges support by the European Research Council (ERC) Starting Grant No. 801770 (ANGULON).\r\nA.A.Z. and O.M.B. acknowledge support by KAUST.","doi":"10.1021/acs.jpclett.3c01158","status":"public","month":"07","isi":1,"keyword":["General Materials Science","Physical and Theoretical Chemistry"],"language":[{"iso":"eng"}],"ddc":["530"],"external_id":{"isi":["001022811500001"],"arxiv":["2304.14198"]},"date_published":"2023-07-05T00:00:00Z","type":"journal_article","publisher":"American Chemical Society","has_accepted_license":"1","tmp":{"name":"Creative Commons Attribution 4.0 International Public License (CC-BY 4.0)","image":"/images/cc_by.png","legal_code_url":"https://creativecommons.org/licenses/by/4.0/legalcode","short":"CC BY (4.0)"},"project":[{"name":"Angulon: physics and applications of a new quasiparticle","_id":"2688CF98-B435-11E9-9278-68D0E5697425","call_identifier":"H2020","grant_number":"801770"}],"issue":"27","quality_controlled":"1","day":"05","page":"6309-6314"},{"language":[{"iso":"eng"}],"keyword":["General Physics and Astronomy","General Engineering","General Materials Science"],"extern":"1","month":"01","status":"public","publisher":"American Chemical Society","date_published":"2023-01-10T00:00:00Z","type":"journal_article","issue":"1","page":"275-287","day":"10","quality_controlled":"1","intvolume":"        17","publication":"ACS Nano","date_updated":"2023-08-02T06:51:15Z","author":[{"first_name":"Chiara","last_name":"Lionello","full_name":"Lionello, Chiara"},{"last_name":"Perego","first_name":"Claudio","full_name":"Perego, Claudio"},{"full_name":"Gardin, Andrea","last_name":"Gardin","first_name":"Andrea"},{"last_name":"Klajn","first_name":"Rafal","full_name":"Klajn, Rafal","id":"8e84690e-1e48-11ed-a02b-a1e6fb8bb53b"},{"first_name":"Giovanni M.","last_name":"Pavan","full_name":"Pavan, Giovanni M."}],"user_id":"2DF688A6-F248-11E8-B48F-1D18A9856A87","oa":1,"volume":17,"year":"2023","citation":{"apa":"Lionello, C., Perego, C., Gardin, A., Klajn, R., &#38; Pavan, G. M. (2023). Supramolecular semiconductivity through emerging ionic gates in ion–nanoparticle superlattices. <i>ACS Nano</i>. American Chemical Society. <a href=\"https://doi.org/10.1021/acsnano.2c07558\">https://doi.org/10.1021/acsnano.2c07558</a>","short":"C. Lionello, C. Perego, A. Gardin, R. Klajn, G.M. Pavan, ACS Nano 17 (2023) 275–287.","chicago":"Lionello, Chiara, Claudio Perego, Andrea Gardin, Rafal Klajn, and Giovanni M. Pavan. “Supramolecular Semiconductivity through Emerging Ionic Gates in Ion–Nanoparticle Superlattices.” <i>ACS Nano</i>. American Chemical Society, 2023. <a href=\"https://doi.org/10.1021/acsnano.2c07558\">https://doi.org/10.1021/acsnano.2c07558</a>.","mla":"Lionello, Chiara, et al. “Supramolecular Semiconductivity through Emerging Ionic Gates in Ion–Nanoparticle Superlattices.” <i>ACS Nano</i>, vol. 17, no. 1, American Chemical Society, 2023, pp. 275–87, doi:<a href=\"https://doi.org/10.1021/acsnano.2c07558\">10.1021/acsnano.2c07558</a>.","ama":"Lionello C, Perego C, Gardin A, Klajn R, Pavan GM. Supramolecular semiconductivity through emerging ionic gates in ion–nanoparticle superlattices. <i>ACS Nano</i>. 2023;17(1):275-287. doi:<a href=\"https://doi.org/10.1021/acsnano.2c07558\">10.1021/acsnano.2c07558</a>","ista":"Lionello C, Perego C, Gardin A, Klajn R, Pavan GM. 2023. Supramolecular semiconductivity through emerging ionic gates in ion–nanoparticle superlattices. ACS Nano. 17(1), 275–287.","ieee":"C. Lionello, C. Perego, A. Gardin, R. Klajn, and G. M. Pavan, “Supramolecular semiconductivity through emerging ionic gates in ion–nanoparticle superlattices,” <i>ACS Nano</i>, vol. 17, no. 1. American Chemical Society, pp. 275–287, 2023."},"abstract":[{"lang":"eng","text":"The self-assembly of nanoparticles driven by small molecules or ions may produce colloidal superlattices with features and properties reminiscent of those of metals or semiconductors. However, to what extent the properties of such supramolecular crystals actually resemble those of atomic materials often remains unclear. Here, we present coarse-grained molecular simulations explicitly demonstrating how a behavior evocative of that of semiconductors may emerge in a colloidal superlattice. As a case study, we focus on gold nanoparticles bearing positively charged groups that self-assemble into FCC crystals via mediation by citrate counterions. In silico ohmic experiments show how the dynamically diverse behavior of the ions in different superlattice domains allows the opening of conductive ionic gates above certain levels of applied electric fields. The observed binary conductive/nonconductive behavior is reminiscent of that of conventional semiconductors, while, at a supramolecular level, crossing the “band gap” requires a sufficient electrostatic stimulus to break the intermolecular interactions and make ions diffuse throughout the superlattice’s cavities."}],"_id":"13346","date_created":"2023-08-01T09:30:29Z","doi":"10.1021/acsnano.2c07558","main_file_link":[{"open_access":"1","url":"https://doi.org/10.1021/acsnano.2c07558"}],"scopus_import":"1","article_type":"original","publication_identifier":{"eissn":["1936-086X"],"issn":["1936-0851"]},"title":"Supramolecular semiconductivity through emerging ionic gates in ion–nanoparticle superlattices","publication_status":"published","oa_version":"Published Version","article_processing_charge":"No"},{"date_updated":"2024-01-23T07:58:27Z","publication":"The Journal of Physical Chemistry B","department":[{"_id":"AnSa"}],"intvolume":"       127","arxiv":1,"volume":127,"oa":1,"user_id":"2DF688A6-F248-11E8-B48F-1D18A9856A87","author":[{"full_name":"Sakref, Yann","last_name":"Sakref","first_name":"Yann"},{"orcid":"0000-0003-1483-1457","id":"1a8a7950-82cd-11ed-bd4f-9624c913a607","full_name":"Muñoz Basagoiti, Maitane","first_name":"Maitane","last_name":"Muñoz Basagoiti"},{"full_name":"Zeravcic, Zorana","first_name":"Zorana","last_name":"Zeravcic"},{"first_name":"Olivier","last_name":"Rivoire","full_name":"Rivoire, Olivier"}],"date_created":"2024-01-18T07:47:11Z","_id":"14831","abstract":[{"lang":"eng","text":"Catalysis, the acceleration of product formation by a substance that is left unchanged, typically results from multiple elementary processes, including diffusion of the reactants toward the catalyst, chemical steps, and release of the products. While efforts to design catalysts are often focused on accelerating the chemical reaction on the catalyst, catalysis is a global property of the catalytic cycle that involves all processes. These are controlled by both intrinsic parameters such as the composition and shape of the catalyst and extrinsic parameters such as the concentration of the chemical species at play. We examine here the conditions that catalysis imposes on the different steps of a reaction cycle and the respective role of intrinsic and extrinsic parameters of the system on the emergence of catalysis by using an approach based on first-passage times. We illustrate this approach for various decompositions of a catalytic cycle into elementary steps, including non-Markovian decompositions, which are useful when the presence and nature of intermediate states are a priori unknown. Our examples cover different types of reactions and clarify the constraints on elementary steps and the impact of species concentrations on catalysis."}],"citation":{"mla":"Sakref, Yann, et al. “On Kinetic Constraints That Catalysis Imposes on Elementary Processes.” <i>The Journal of Physical Chemistry B</i>, vol. 127, no. 51, American Chemical Society, 2023, pp. 10950–59, doi:<a href=\"https://doi.org/10.1021/acs.jpcb.3c04627\">10.1021/acs.jpcb.3c04627</a>.","chicago":"Sakref, Yann, Maitane Muñoz Basagoiti, Zorana Zeravcic, and Olivier Rivoire. “On Kinetic Constraints That Catalysis Imposes on Elementary Processes.” <i>The Journal of Physical Chemistry B</i>. American Chemical Society, 2023. <a href=\"https://doi.org/10.1021/acs.jpcb.3c04627\">https://doi.org/10.1021/acs.jpcb.3c04627</a>.","apa":"Sakref, Y., Muñoz Basagoiti, M., Zeravcic, Z., &#38; Rivoire, O. (2023). On kinetic constraints that catalysis imposes on elementary processes. <i>The Journal of Physical Chemistry B</i>. American Chemical Society. <a href=\"https://doi.org/10.1021/acs.jpcb.3c04627\">https://doi.org/10.1021/acs.jpcb.3c04627</a>","short":"Y. Sakref, M. Muñoz Basagoiti, Z. Zeravcic, O. Rivoire, The Journal of Physical Chemistry B 127 (2023) 10950–10959.","ama":"Sakref Y, Muñoz Basagoiti M, Zeravcic Z, Rivoire O. On kinetic constraints that catalysis imposes on elementary processes. <i>The Journal of Physical Chemistry B</i>. 2023;127(51):10950-10959. doi:<a href=\"https://doi.org/10.1021/acs.jpcb.3c04627\">10.1021/acs.jpcb.3c04627</a>","ieee":"Y. Sakref, M. Muñoz Basagoiti, Z. Zeravcic, and O. Rivoire, “On kinetic constraints that catalysis imposes on elementary processes,” <i>The Journal of Physical Chemistry B</i>, vol. 127, no. 51. American Chemical Society, pp. 10950–10959, 2023.","ista":"Sakref Y, Muñoz Basagoiti M, Zeravcic Z, Rivoire O. 2023. On kinetic constraints that catalysis imposes on elementary processes. The Journal of Physical Chemistry B. 127(51), 10950–10959."},"year":"2023","article_processing_charge":"No","oa_version":"Preprint","publication_status":"published","title":"On kinetic constraints that catalysis imposes on elementary processes","acknowledgement":"We acknowledge funding from ANR-22-CE06-0037-02. This work has received funding from the European Unions Horizon 2020 research and innovation program under the Marie Sklodowska-Curie grant agreement No. 754387.","publication_identifier":{"eissn":["1520-5207"],"issn":["1520-6106"]},"article_type":"original","main_file_link":[{"url":"https://doi.org/10.48550/arXiv.2312.15940","open_access":"1"}],"doi":"10.1021/acs.jpcb.3c04627","status":"public","isi":1,"month":"12","keyword":["Materials Chemistry","Surfaces","Coatings and Films","Physical and Theoretical Chemistry"],"language":[{"iso":"eng"}],"type":"journal_article","external_id":{"arxiv":["2312.15940"],"isi":["001134068000001"]},"date_published":"2023-12-13T00:00:00Z","publisher":"American Chemical Society","issue":"51","quality_controlled":"1","day":"13","page":"10950-10959"},{"date_published":"2023-08-01T00:00:00Z","external_id":{"isi":["000927831000001"]},"type":"journal_article","publisher":"Institute of Electrical and Electronics Engineers","status":"public","month":"08","isi":1,"keyword":["General Engineering","General Materials Science","General Computer Science","Electrical and Electronic Engineering"],"language":[{"iso":"eng"}],"ddc":["000"],"quality_controlled":"1","day":"01","page":"8651-8662","tmp":{"name":"Creative Commons Attribution 4.0 International Public License (CC-BY 4.0)","image":"/images/cc_by.png","legal_code_url":"https://creativecommons.org/licenses/by/4.0/legalcode","short":"CC BY (4.0)"},"has_accepted_license":"1","oa":1,"volume":11,"user_id":"2DF688A6-F248-11E8-B48F-1D18A9856A87","author":[{"id":"f09651b9-fec0-11ec-b5d8-934aff0e52a4","orcid":"0000-0001-7227-8309","full_name":"Neiheiser, Ray","first_name":"Ray","last_name":"Neiheiser"},{"full_name":"Inacio, Gustavo","first_name":"Gustavo","last_name":"Inacio"},{"full_name":"Rech, Luciana","first_name":"Luciana","last_name":"Rech"},{"last_name":"Montez","first_name":"Carlos","full_name":"Montez, Carlos"},{"last_name":"Matos","first_name":"Miguel","full_name":"Matos, Miguel"},{"last_name":"Rodrigues","first_name":"Luis","full_name":"Rodrigues, Luis"}],"publication":"IEEE Access","date_updated":"2023-12-13T12:14:52Z","department":[{"_id":"ElKo"}],"intvolume":"        11","file_date_updated":"2023-08-22T06:37:48Z","article_processing_charge":"Yes","oa_version":"Published Version","publication_status":"published","title":"Practical limitations of Ethereum’s layer-2","article_type":"original","publication_identifier":{"issn":["2169-3536"]},"acknowledgement":"This work was supported in part by the Coordenação de Aperfeiçoamento de Pessoal de Nivel Superior (CAPES)—Brazil (CAPES), in part by the Fundação para a Ciência e Tecnologia (FCT) under Project UIDB/50021/2020 and Grant 2020.05270.BD, in part by the Project COSMOS (via the Orçamento de Estado (OE) with ref. PTDC/EEI-COM/29271/2017 and via the ‘‘Programa Operacional Regional de Lisboa na sua componente Fundo Europeu de Desenvolvimento Regional (FEDER)’’ with ref. Lisboa-01-0145-FEDER-029271), and in part by the project Angainor with reference LISBOA-01-0145-FEDER-031456 as well as supported by Meta Platforms for the project key Transparency at Scale.","doi":"10.1109/access.2023.3237897","scopus_import":"1","_id":"13988","file":[{"success":1,"access_level":"open_access","file_name":"2023_IEEEAccess_Neiheiser.pdf","file_size":1289285,"date_updated":"2023-08-22T06:37:48Z","date_created":"2023-08-22T06:37:48Z","relation":"main_file","creator":"dernst","file_id":"14166","content_type":"application/pdf","checksum":"4b80b0ff212edf7e5842fbdd53784432"}],"date_created":"2023-08-09T12:09:57Z","abstract":[{"lang":"eng","text":"Most permissionless blockchains inherently suffer from throughput limitations. Layer-2 systems, such as side-chains or Rollups, have been proposed as a possible strategy to overcome this limitation. Layer-2 systems interact with the main-chain in two ways. First, users can move funds from/to the main-chain to/from the layer-2. Second, layer-2 systems periodically synchronize with the main-chain to keep some form of log of their activity on the main-chain - this log is key for security. Due to this interaction with the main-chain, which is necessary and recurrent, layer-2 systems impose some load on the main-chain. The impact of such load on the main-chain has been, so far, poorly understood. In addition to that, layer-2 approaches typically sacrifice decentralization and security in favor of higher throughput. This paper presents an experimental study that analyzes the current state of Ethereum layer-2 projects. Our goal is to assess the load they impose on Ethereum and to understand their scalability potential in the long-run. Our analysis shows that the impact of any given layer-2 on the main-chain is the result of both technical aspects (how state is logged on the main-chain) and user behavior (how often users decide to transfer funds between the layer-2 and the main-chain). Based on our observations, we infer that without efficient mechanisms that allow users to transfer funds in a secure and fast manner directly from one layer-2 project to another, current layer-2 systems will not be able to scale Ethereum effectively, regardless of their technical solutions. Furthermore, from our results, we conclude that the layer-2 systems that offer similar security guarantees as Ethereum have limited scalability potential, while approaches that offer better performance, sacrifice security and lead to an increase in centralization which runs against the end-goals of permissionless blockchains."}],"year":"2023","citation":{"ama":"Neiheiser R, Inacio G, Rech L, Montez C, Matos M, Rodrigues L. Practical limitations of Ethereum’s layer-2. <i>IEEE Access</i>. 2023;11:8651-8662. doi:<a href=\"https://doi.org/10.1109/access.2023.3237897\">10.1109/access.2023.3237897</a>","ista":"Neiheiser R, Inacio G, Rech L, Montez C, Matos M, Rodrigues L. 2023. Practical limitations of Ethereum’s layer-2. IEEE Access. 11, 8651–8662.","ieee":"R. Neiheiser, G. Inacio, L. Rech, C. Montez, M. Matos, and L. Rodrigues, “Practical limitations of Ethereum’s layer-2,” <i>IEEE Access</i>, vol. 11. Institute of Electrical and Electronics Engineers, pp. 8651–8662, 2023.","apa":"Neiheiser, R., Inacio, G., Rech, L., Montez, C., Matos, M., &#38; Rodrigues, L. (2023). Practical limitations of Ethereum’s layer-2. <i>IEEE Access</i>. Institute of Electrical and Electronics Engineers. <a href=\"https://doi.org/10.1109/access.2023.3237897\">https://doi.org/10.1109/access.2023.3237897</a>","chicago":"Neiheiser, Ray, Gustavo Inacio, Luciana Rech, Carlos Montez, Miguel Matos, and Luis Rodrigues. “Practical Limitations of Ethereum’s Layer-2.” <i>IEEE Access</i>. Institute of Electrical and Electronics Engineers, 2023. <a href=\"https://doi.org/10.1109/access.2023.3237897\">https://doi.org/10.1109/access.2023.3237897</a>.","short":"R. Neiheiser, G. Inacio, L. Rech, C. Montez, M. Matos, L. Rodrigues, IEEE Access 11 (2023) 8651–8662.","mla":"Neiheiser, Ray, et al. “Practical Limitations of Ethereum’s Layer-2.” <i>IEEE Access</i>, vol. 11, Institute of Electrical and Electronics Engineers, 2023, pp. 8651–62, doi:<a href=\"https://doi.org/10.1109/access.2023.3237897\">10.1109/access.2023.3237897</a>."}},{"quality_controlled":"1","day":"24","project":[{"name":"HighTE: The Werner Siemens Laboratory for the High Throughput Discovery of Semiconductors for Waste Heat Recovery","_id":"9B8F7476-BA93-11EA-9121-9846C619BF3A"}],"external_id":{"pmid":["37487245"],"isi":["001083876900001"]},"date_published":"2023-07-24T00:00:00Z","type":"journal_article","publisher":"Wiley","pmid":1,"month":"07","isi":1,"status":"public","language":[{"iso":"eng"}],"keyword":["Mechanical Engineering","Mechanics of Materials","General Materials Science"],"publication_status":"epub_ahead","title":"A 3d‐4d‐5d high entropy alloy as a bifunctional oxygen catalyst for robust aqueous zinc–air batteries","oa_version":"None","article_processing_charge":"No","doi":"10.1002/adma.202303719","article_type":"original","publication_identifier":{"issn":["0935-9648","1521-4095"]},"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_created":"2023-10-17T10:52:23Z","year":"2023","article_number":"2303719","citation":{"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).","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>","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>.","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>.","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>","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.","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."},"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."}],"acknowledged_ssus":[{"_id":"EM-Fac"}],"author":[{"full_name":"He, Ren","first_name":"Ren","last_name":"He"},{"full_name":"Yang, Linlin","first_name":"Linlin","last_name":"Yang"},{"first_name":"Yu","last_name":"Zhang","full_name":"Zhang, Yu"},{"full_name":"Jiang, Daochuan","first_name":"Daochuan","last_name":"Jiang"},{"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","id":"03a7e858-01b1-11ec-8b71-99ae6c4a05bc","last_name":"Horta","first_name":"Sharona"},{"full_name":"Liang, Zhifu","last_name":"Liang","first_name":"Zhifu"},{"full_name":"Lu, Xuan","first_name":"Xuan","last_name":"Lu"},{"full_name":"Ostovari Moghaddam, Ahmad","last_name":"Ostovari Moghaddam","first_name":"Ahmad"},{"first_name":"Junshan","last_name":"Li","full_name":"Li, Junshan"},{"full_name":"Ibáñez, Maria","orcid":"0000-0001-5013-2843","id":"43C61214-F248-11E8-B48F-1D18A9856A87","last_name":"Ibáñez","first_name":"Maria"},{"full_name":"Xu, Ying","first_name":"Ying","last_name":"Xu"},{"full_name":"Zhou, Yingtang","last_name":"Zhou","first_name":"Yingtang"},{"last_name":"Cabot","first_name":"Andreu","full_name":"Cabot, Andreu"}],"user_id":"2DF688A6-F248-11E8-B48F-1D18A9856A87","department":[{"_id":"MaIb"}],"publication":"Advanced Materials","date_updated":"2023-12-13T13:03:23Z"},{"user_id":"2DF688A6-F248-11E8-B48F-1D18A9856A87","publisher":"Wiley","author":[{"full_name":"Zeng, Guifang","last_name":"Zeng","first_name":"Guifang"},{"first_name":"Qing","last_name":"Sun","full_name":"Sun, Qing"},{"id":"03a7e858-01b1-11ec-8b71-99ae6c4a05bc","full_name":"Horta, Sharona","first_name":"Sharona","last_name":"Horta"},{"full_name":"Wang, Shang","last_name":"Wang","first_name":"Shang"},{"full_name":"Lu, Xuan","first_name":"Xuan","last_name":"Lu"},{"full_name":"Zhang, Chaoyue","last_name":"Zhang","first_name":"Chaoyue"},{"first_name":"Jing","last_name":"Li","full_name":"Li, Jing"},{"last_name":"Li","first_name":"Junshan","full_name":"Li, Junshan"},{"full_name":"Ci, Lijie","first_name":"Lijie","last_name":"Ci"},{"first_name":"Yanhong","last_name":"Tian","full_name":"Tian, Yanhong"},{"first_name":"Maria","last_name":"Ibáñez","orcid":"0000-0001-5013-2843","id":"43C61214-F248-11E8-B48F-1D18A9856A87","full_name":"Ibáñez, Maria"},{"first_name":"Andreu","last_name":"Cabot","full_name":"Cabot, Andreu"}],"pmid":1,"date_published":"2023-08-09T00:00:00Z","external_id":{"isi":["001085681000001"],"pmid":["37555532"]},"type":"journal_article","keyword":["Mechanical Engineering","Mechanics of Materials","General Materials Science"],"language":[{"iso":"eng"}],"status":"public","publication":"Advanced Materials","date_updated":"2023-12-13T13:03:53Z","month":"08","department":[{"_id":"MaIb"}],"isi":1,"article_type":"original","publication_identifier":{"eissn":["1521-4095"],"issn":["0935-9648"]},"day":"09","doi":"10.1002/adma.202305128","article_processing_charge":"No","oa_version":"None","publication_status":"accepted","title":"A layered Bi2Te3@PPy cathode for aqueous zinc ion batteries: Mechanism and application in printed flexible batteries","quality_controlled":"1","abstract":[{"lang":"eng","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 (Bi<jats:sub>2</jats:sub>Te<jats:sub>3</jats:sub>), coated with polypyrrole (PPy). Taking advantage of the PPy coating, the Bi<jats:sub>2</jats:sub>Te<jats:sub>3</jats:sub>@PPy composite presents strong ionic absorption affinity, high oxidation resistance, and high structural stability. The ZIBs based on Bi<jats:sub>2</jats:sub>Te<jats:sub>3</jats:sub>@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, Zn<jats:sup>2+</jats:sup> 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."}],"article_number":"2305128","year":"2023","citation":{"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. <i>Advanced Materials</i>. doi:<a href=\"https://doi.org/10.1002/adma.202305128\">10.1002/adma.202305128</a>","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.","ieee":"G. Zeng <i>et al.</i>, “A layered Bi2Te3@PPy cathode for aqueous zinc ion batteries: Mechanism and application in printed flexible batteries,” <i>Advanced Materials</i>. 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.” <i>Advanced Materials</i>. Wiley, n.d. <a href=\"https://doi.org/10.1002/adma.202305128\">https://doi.org/10.1002/adma.202305128</a>.","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. <i>Advanced Materials</i>. Wiley. <a href=\"https://doi.org/10.1002/adma.202305128\">https://doi.org/10.1002/adma.202305128</a>","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.).","mla":"Zeng, Guifang, et al. “A Layered Bi2Te3@PPy Cathode for Aqueous Zinc Ion Batteries: Mechanism and Application in Printed Flexible Batteries.” <i>Advanced Materials</i>, 2305128, Wiley, doi:<a href=\"https://doi.org/10.1002/adma.202305128\">10.1002/adma.202305128</a>."},"_id":"14435","date_created":"2023-10-17T10:53:56Z"},{"_id":"14733","date_created":"2024-01-05T09:20:48Z","year":"2023","citation":{"chicago":"Jethwa, Rajesh B, Dominic Hey, Rachel N. Kerber, Andrew D. Bond, Dominic S. Wright, and Clare P. Grey. “Exploring the Landscape of Heterocyclic Quinones for Redox Flow Batteries.” <i>ACS Applied Energy Materials</i>. American Chemical Society, 2023. <a href=\"https://doi.org/10.1021/acsaem.3c02223\">https://doi.org/10.1021/acsaem.3c02223</a>.","apa":"Jethwa, R. B., Hey, D., Kerber, R. N., Bond, A. D., Wright, D. S., &#38; Grey, C. P. (2023). Exploring the landscape of heterocyclic quinones for redox flow batteries. <i>ACS Applied Energy Materials</i>. American Chemical Society. <a href=\"https://doi.org/10.1021/acsaem.3c02223\">https://doi.org/10.1021/acsaem.3c02223</a>","short":"R.B. Jethwa, D. Hey, R.N. Kerber, A.D. Bond, D.S. Wright, C.P. Grey, ACS Applied Energy Materials (2023).","mla":"Jethwa, Rajesh B., et al. “Exploring the Landscape of Heterocyclic Quinones for Redox Flow Batteries.” <i>ACS Applied Energy Materials</i>, American Chemical Society, 2023, doi:<a href=\"https://doi.org/10.1021/acsaem.3c02223\">10.1021/acsaem.3c02223</a>.","ista":"Jethwa RB, Hey D, Kerber RN, Bond AD, Wright DS, Grey CP. 2023. Exploring the landscape of heterocyclic quinones for redox flow batteries. ACS Applied Energy Materials.","ieee":"R. B. Jethwa, D. Hey, R. N. Kerber, A. D. Bond, D. S. Wright, and C. P. Grey, “Exploring the landscape of heterocyclic quinones for redox flow batteries,” <i>ACS Applied Energy Materials</i>. American Chemical Society, 2023.","ama":"Jethwa RB, Hey D, Kerber RN, Bond AD, Wright DS, Grey CP. Exploring the landscape of heterocyclic quinones for redox flow batteries. <i>ACS Applied Energy Materials</i>. 2023. doi:<a href=\"https://doi.org/10.1021/acsaem.3c02223\">10.1021/acsaem.3c02223</a>"},"abstract":[{"lang":"eng","text":"Redox flow batteries (RFBs) rely on the development of cheap, highly soluble, and high-energy-density electrolytes. Several candidate quinones have already been investigated in the literature as two-electron anolytes or catholytes, benefiting from fast kinetics, high tunability, and low cost. Here, an investigation of nitrogen-rich fused heteroaromatic quinones was carried out to explore avenues for electrolyte development. These quinones were synthesized and screened by using electrochemical techniques. The most promising candidate, 4,8-dioxo-4,8-dihydrobenzo[1,2-d:4,5-d′]bis([1,2,3]triazole)-1,5-diide (−0.68 V(SHE)), was tested in both an asymmetric and symmetric full-cell setup resulting in capacity fade rates of 0.35% per cycle and 0.0124% per cycle, respectively. In situ ultraviolet-visible spectroscopy (UV–Vis), nuclear magnetic resonance (NMR), and electron paramagnetic resonance (EPR) spectroscopies were used to investigate the electrochemical stability of the charged species during operation. UV–Vis spectroscopy, supported by density functional theory (DFT) modeling, reaffirmed that the two-step charging mechanism observed during battery operation consisted of two, single-electron transfers. The radical concentration during battery operation and the degree of delocalization of the unpaired electron were quantified with NMR and EPR spectroscopy."}],"publication_status":"epub_ahead","title":"Exploring the landscape of heterocyclic quinones for redox flow batteries","article_processing_charge":"Yes (in subscription journal)","oa_version":"Published Version","main_file_link":[{"open_access":"1","url":"https://doi.org/10.1021/acsaem.3c02223"}],"doi":"10.1021/acsaem.3c02223","article_type":"original","publication_identifier":{"eissn":["2574-0962"]},"department":[{"_id":"StFr"}],"publication":"ACS Applied Energy Materials","date_updated":"2024-01-08T09:03:01Z","ec_funded":1,"oa":1,"author":[{"id":"4cc538d5-803f-11ed-ab7e-8139573aad8f","orcid":"0000-0002-0404-4356","full_name":"Jethwa, Rajesh B","first_name":"Rajesh B","last_name":"Jethwa"},{"full_name":"Hey, Dominic","last_name":"Hey","first_name":"Dominic"},{"full_name":"Kerber, Rachel N.","last_name":"Kerber","first_name":"Rachel N."},{"full_name":"Bond, Andrew D.","first_name":"Andrew D.","last_name":"Bond"},{"last_name":"Wright","first_name":"Dominic S.","full_name":"Wright, Dominic S."},{"full_name":"Grey, Clare P.","first_name":"Clare P.","last_name":"Grey"}],"user_id":"2DF688A6-F248-11E8-B48F-1D18A9856A87","tmp":{"name":"Creative Commons Attribution 4.0 International Public License (CC-BY 4.0)","image":"/images/cc_by.png","legal_code_url":"https://creativecommons.org/licenses/by/4.0/legalcode","short":"CC BY (4.0)"},"project":[{"name":"IST-BRIDGE: International postdoctoral program","_id":"fc2ed2f7-9c52-11eb-aca3-c01059dda49c","grant_number":"101034413","call_identifier":"H2020"}],"has_accepted_license":"1","quality_controlled":"1","day":"28","month":"12","status":"public","language":[{"iso":"eng"}],"ddc":["540"],"keyword":["Electrical and Electronic Engineering","Materials Chemistry","Electrochemistry","Energy Engineering and Power Technology","Chemical Engineering (miscellaneous)"],"date_published":"2023-12-28T00:00:00Z","type":"journal_article","publisher":"American Chemical Society"},{"external_id":{"isi":["000852381200003"]},"date_published":"2022-09-10T00:00:00Z","type":"journal_article","publisher":"Springer Nature","month":"09","isi":1,"status":"public","language":[{"iso":"eng"}],"ddc":["530"],"keyword":["Condensed Matter Physics","Electronic","Optical and Magnetic Materials"],"quality_controlled":"1","day":"10","tmp":{"name":"Creative Commons Attribution 4.0 International Public License (CC-BY 4.0)","image":"/images/cc_by.png","legal_code_url":"https://creativecommons.org/licenses/by/4.0/legalcode","short":"CC BY (4.0)"},"has_accepted_license":"1","project":[{"_id":"260C2330-B435-11E9-9278-68D0E5697425","name":"ISTplus - Postdoctoral Fellowships","call_identifier":"H2020","grant_number":"754411"}],"oa":1,"related_material":{"link":[{"url":"https://doi.org/10.1038/s41535-022-00510-1","relation":"erratum"}]},"volume":7,"author":[{"last_name":"Paerschke","first_name":"Ekaterina","full_name":"Paerschke, Ekaterina","orcid":"0000-0003-0853-8182","id":"8275014E-6063-11E9-9B7F-6338E6697425"},{"full_name":"Chen, Wei-Chih","last_name":"Chen","first_name":"Wei-Chih"},{"full_name":"Ray, Rajyavardhan","first_name":"Rajyavardhan","last_name":"Ray"},{"last_name":"Chen","first_name":"Cheng-Chien","full_name":"Chen, Cheng-Chien"}],"user_id":"4359f0d1-fa6c-11eb-b949-802e58b17ae8","department":[{"_id":"MiLe"}],"publication":"npj Quantum Materials","ec_funded":1,"date_updated":"2023-08-04T09:23:43Z","intvolume":"         7","publication_status":"published","title":"Evolution of electronic and magnetic properties of Sr₂IrO₄ under strain","file_date_updated":"2023-01-27T07:59:27Z","oa_version":"Published Version","article_processing_charge":"No","doi":"10.1038/s41535-022-00496-w","scopus_import":"1","article_type":"original","acknowledgement":"E.M.P. thanks Eugenio Paris, Thorsten Schmitt, Krzysztof Wohlfeld, and other coauthors for an inspiring previous collaboration23, and is grateful to Gang Cao, Ambrose Seo, and Jungho Kim for insightful discussions. R.R. acknowledges helpful discussion with Sanjeev Kumar and Manuel Richter. This project has received funding from the European Union’s Horizon 2020 research and innovation program under the Marie Sklodowska-Curie grant agreement No 754411. C.C.C. acknowledges support from the U.S. National Science Foundation Award No. DMR-2142801.","publication_identifier":{"eissn":["2397-4648"]},"_id":"12213","file":[{"content_type":"application/pdf","creator":"dernst","file_id":"12414","checksum":"d93b477b5b95c0d1b8f9fef90a81f565","file_name":"2022_NPJ_Paerschke.pdf","success":1,"access_level":"open_access","date_created":"2023-01-27T07:59:27Z","relation":"main_file","date_updated":"2023-01-27T07:59:27Z","file_size":1852598}],"date_created":"2023-01-16T09:46:01Z","year":"2022","article_number":"90","citation":{"ama":"Paerschke E, Chen W-C, Ray R, Chen C-C. Evolution of electronic and magnetic properties of Sr₂IrO₄ under strain. <i>npj Quantum Materials</i>. 2022;7. doi:<a href=\"https://doi.org/10.1038/s41535-022-00496-w\">10.1038/s41535-022-00496-w</a>","ieee":"E. Paerschke, W.-C. Chen, R. Ray, and C.-C. Chen, “Evolution of electronic and magnetic properties of Sr₂IrO₄ under strain,” <i>npj Quantum Materials</i>, vol. 7. Springer Nature, 2022.","ista":"Paerschke E, Chen W-C, Ray R, Chen C-C. 2022. Evolution of electronic and magnetic properties of Sr₂IrO₄ under strain. npj Quantum Materials. 7, 90.","mla":"Paerschke, Ekaterina, et al. “Evolution of Electronic and Magnetic Properties of Sr₂IrO₄ under Strain.” <i>Npj Quantum Materials</i>, vol. 7, 90, Springer Nature, 2022, doi:<a href=\"https://doi.org/10.1038/s41535-022-00496-w\">10.1038/s41535-022-00496-w</a>.","chicago":"Paerschke, Ekaterina, Wei-Chih Chen, Rajyavardhan Ray, and Cheng-Chien Chen. “Evolution of Electronic and Magnetic Properties of Sr₂IrO₄ under Strain.” <i>Npj Quantum Materials</i>. Springer Nature, 2022. <a href=\"https://doi.org/10.1038/s41535-022-00496-w\">https://doi.org/10.1038/s41535-022-00496-w</a>.","short":"E. Paerschke, W.-C. Chen, R. Ray, C.-C. Chen, Npj Quantum Materials 7 (2022).","apa":"Paerschke, E., Chen, W.-C., Ray, R., &#38; Chen, C.-C. (2022). Evolution of electronic and magnetic properties of Sr₂IrO₄ under strain. <i>Npj Quantum Materials</i>. Springer Nature. <a href=\"https://doi.org/10.1038/s41535-022-00496-w\">https://doi.org/10.1038/s41535-022-00496-w</a>"},"abstract":[{"lang":"eng","text":"Motivated by properties-controlling potential of the strain, we investigate strain dependence of structure, electronic, and magnetic properties of Sr2IrO4 using complementary theoretical tools: ab-initio calculations, analytical approaches (rigid octahedra picture, Slater-Koster integrals), and extended t−J model. We find that strain affects both Ir-Ir distance and Ir-O-Ir angle, and the rigid octahedra picture is not relevant. Second, we find fundamentally different behavior for compressive and tensile strain. One remarkable feature is the formation of two subsets of bond- and orbital-dependent carriers, a compass-like model, under compression. This originates from the strain-induced renormalization of the Ir-O-Ir superexchange and O on-site energy. We also show that under compressive (tensile) strain, Fermi surface becomes highly dispersive (relatively flat). Already at a tensile strain of 1.5%, we observe spectral weight redistribution, with the low-energy band acquiring almost purely singlet character. These results can be directly compared with future experiments."}]},{"_id":"12227","file":[{"content_type":"application/pdf","file_id":"12420","creator":"dernst","checksum":"572d15c250ab83d44f4e2c3aeb5f7388","success":1,"access_level":"open_access","file_name":"2022_AppliedEnergyMaterials_Kovacic.pdf","date_created":"2023-01-27T09:09:15Z","file_size":13105589,"date_updated":"2023-01-27T09:09:15Z","relation":"main_file"}],"date_created":"2023-01-16T09:48:53Z","year":"2022","citation":{"ista":"Kovačič S, Schafzahl B, Matsko NB, Gruber K, Schmuck M, Koller S, Freunberger SA, Slugovc C. 2022. Carbon foams via ring-opening metathesis polymerization of emulsion templates: A facile method to make carbon current collectors for battery applications. ACS Applied Energy Materials. 5(11), 14381–14390.","ieee":"S. Kovačič <i>et al.</i>, “Carbon foams via ring-opening metathesis polymerization of emulsion templates: A facile method to make carbon current collectors for battery applications,” <i>ACS Applied Energy Materials</i>, vol. 5, no. 11. American Chemical Society, pp. 14381–14390, 2022.","ama":"Kovačič S, Schafzahl B, Matsko NB, et al. Carbon foams via ring-opening metathesis polymerization of emulsion templates: A facile method to make carbon current collectors for battery applications. <i>ACS Applied Energy Materials</i>. 2022;5(11):14381-14390. doi:<a href=\"https://doi.org/10.1021/acsaem.2c02787\">10.1021/acsaem.2c02787</a>","chicago":"Kovačič, Sebastijan, Bettina Schafzahl, Nadejda B. Matsko, Katharina Gruber, Martin Schmuck, Stefan Koller, Stefan Alexander Freunberger, and Christian Slugovc. “Carbon Foams via Ring-Opening Metathesis Polymerization of Emulsion Templates: A Facile Method to Make Carbon Current Collectors for Battery Applications.” <i>ACS Applied Energy Materials</i>. American Chemical Society, 2022. <a href=\"https://doi.org/10.1021/acsaem.2c02787\">https://doi.org/10.1021/acsaem.2c02787</a>.","short":"S. Kovačič, B. Schafzahl, N.B. Matsko, K. Gruber, M. Schmuck, S. Koller, S.A. Freunberger, C. Slugovc, ACS Applied Energy Materials 5 (2022) 14381–14390.","apa":"Kovačič, S., Schafzahl, B., Matsko, N. B., Gruber, K., Schmuck, M., Koller, S., … Slugovc, C. (2022). Carbon foams via ring-opening metathesis polymerization of emulsion templates: A facile method to make carbon current collectors for battery applications. <i>ACS Applied Energy Materials</i>. American Chemical Society. <a href=\"https://doi.org/10.1021/acsaem.2c02787\">https://doi.org/10.1021/acsaem.2c02787</a>","mla":"Kovačič, Sebastijan, et al. “Carbon Foams via Ring-Opening Metathesis Polymerization of Emulsion Templates: A Facile Method to Make Carbon Current Collectors for Battery Applications.” <i>ACS Applied Energy Materials</i>, vol. 5, no. 11, American Chemical Society, 2022, pp. 14381–90, doi:<a href=\"https://doi.org/10.1021/acsaem.2c02787\">10.1021/acsaem.2c02787</a>."},"abstract":[{"text":"Polydicyclopentadiene (pDCPD), a thermoset with excellent mechanical properties, has enormous potential as a lightweight, tough, and stable matrix material owing to its highly cross-linked macromolecular network. This work describes generating pDCPD-based foams and hierarchically porous carbons derived therefrom by combining ring-opening metathesis polymerization (ROMP) of DCPD, high internal phase emulsions (HIPEs) as structural templates, and subsequent carbonization. The structure and function of the carbon foams were characterized and discussed in detail using scanning electron, transmission electron, or atomic force microscopy (SEM, TEM, AFM), electron energy-loss spectroscopy (TEM-EELS), N2 sorption, and analyses of electrical conductivity as well as mechanical properties. The resulting materials exhibited uniform, shape-retaining shrinkage of only ∼1/3 after carbonization. No structural failure was observed even when the pDCPD precursor foams were heated to 1400 °C. Instead, the high porosity, void size, and 3D interconnectivity were fully preserved, and the void diameters could be adjusted between 87 and 2.5 μm. Moreover, foams have a carbon content >97%, an electronic conductivity of up to 2800 S·m–1, a Young’s modulus of up to 2.1 GPa, and a specific surface area of up to 1200 m2·g–1. Surprisingly, the pDCPD foams were carbonized into shapes other than monoliths, such as 10’s of micron thick membranes or foamy coatings adhered to a metal foil or grid substrate. The latter coatings even adhere upon bending. Finally, as a use case, carbonized foams were applied as porous cathodes for Li–O2 batteries where the foams show a favorable combination of porosity, active surface area, and pore size for outstanding capacity.","lang":"eng"}],"publication_status":"published","title":"Carbon foams via ring-opening metathesis polymerization of emulsion templates: A facile method to make carbon current collectors for battery applications","file_date_updated":"2023-01-27T09:09:15Z","oa_version":"Published Version","article_processing_charge":"No","doi":"10.1021/acsaem.2c02787","scopus_import":"1","article_type":"original","publication_identifier":{"issn":["2574-0962"]},"acknowledgement":"S.K. acknowledges the financial support from the Slovenian Research Agency (grants P1-0021, P2-0150). Support by Graz University of Technology (LP-03 – Porous Materials@Work) and from VARTA Innovation GmbH is kindly acknowledged. We thank Umicore for providing the initiator and Matjaž Mazaj (National Institute of Chemistry, Ljubljana) and Karel Jerabek (Czech Academy of Sciences) for measurements and fruitful discussions. S.A.F. is indebted to the Austrian Federal Ministry of Science, Research and Economy; the Austrian Research Promotion Agency (Grant No. 845364); and ISTA for support.","department":[{"_id":"StFr"}],"publication":"ACS Applied Energy Materials","date_updated":"2023-08-04T09:27:32Z","intvolume":"         5","oa":1,"volume":5,"author":[{"full_name":"Kovačič, Sebastijan","last_name":"Kovačič","first_name":"Sebastijan"},{"full_name":"Schafzahl, Bettina","last_name":"Schafzahl","first_name":"Bettina"},{"full_name":"Matsko, Nadejda B.","first_name":"Nadejda B.","last_name":"Matsko"},{"full_name":"Gruber, Katharina","last_name":"Gruber","first_name":"Katharina"},{"first_name":"Martin","last_name":"Schmuck","full_name":"Schmuck, Martin"},{"full_name":"Koller, Stefan","first_name":"Stefan","last_name":"Koller"},{"first_name":"Stefan Alexander","last_name":"Freunberger","orcid":"0000-0003-2902-5319","id":"A8CA28E6-CE23-11E9-AD2D-EC27E6697425","full_name":"Freunberger, Stefan Alexander"},{"full_name":"Slugovc, Christian","last_name":"Slugovc","first_name":"Christian"}],"user_id":"4359f0d1-fa6c-11eb-b949-802e58b17ae8","issue":"11","tmp":{"name":"Creative Commons Attribution 4.0 International Public License (CC-BY 4.0)","image":"/images/cc_by.png","legal_code_url":"https://creativecommons.org/licenses/by/4.0/legalcode","short":"CC BY (4.0)"},"has_accepted_license":"1","quality_controlled":"1","page":"14381-14390","day":"16","month":"10","isi":1,"status":"public","language":[{"iso":"eng"}],"ddc":["540"],"keyword":["Electrical and Electronic Engineering","Materials Chemistry","Electrochemistry","Energy Engineering and Power Technology","Chemical Engineering (miscellaneous)"],"date_published":"2022-10-16T00:00:00Z","external_id":{"isi":["000875635900001"]},"type":"journal_article","publisher":"American Chemical Society"},{"status":"public","isi":1,"month":"10","keyword":["General Materials Science"],"language":[{"iso":"eng"}],"type":"journal_article","date_published":"2022-10-14T00:00:00Z","external_id":{"isi":["000873782700001"],"pmid":["36239982"]},"pmid":1,"publisher":"American Chemical Society","issue":"42","quality_controlled":"1","day":"14","page":"48212-48219","date_updated":"2023-10-04T08:28:14Z","publication":"ACS Applied Materials & Interfaces","department":[{"_id":"MaIb"}],"intvolume":"        14","volume":14,"user_id":"2DF688A6-F248-11E8-B48F-1D18A9856A87","author":[{"last_name":"Wang","first_name":"Xiang","full_name":"Wang, Xiang"},{"full_name":"Zuo, Yong","last_name":"Zuo","first_name":"Yong"},{"id":"03a7e858-01b1-11ec-8b71-99ae6c4a05bc","full_name":"Horta, Sharona","first_name":"Sharona","last_name":"Horta"},{"first_name":"Ren","last_name":"He","full_name":"He, Ren"},{"full_name":"Yang, Linlin","first_name":"Linlin","last_name":"Yang"},{"full_name":"Ostovari Moghaddam, Ahmad","first_name":"Ahmad","last_name":"Ostovari Moghaddam"},{"last_name":"Ibáñez","first_name":"Maria","full_name":"Ibáñez, Maria","id":"43C61214-F248-11E8-B48F-1D18A9856A87","orcid":"0000-0001-5013-2843"},{"full_name":"Qi, Xueqiang","first_name":"Xueqiang","last_name":"Qi"},{"full_name":"Cabot, Andreu","first_name":"Andreu","last_name":"Cabot"}],"date_created":"2023-01-16T09:51:10Z","_id":"12236","abstract":[{"lang":"eng","text":"High-entropy materials offer numerous advantages as catalysts, including a flexible composition to tune the catalytic activity and selectivity and a large variety of adsorption/reaction sites for multistep or multiple reactions. Herein, we report on the synthesis, properties, and electrocatalytic performance of an amorphous high-entropy boride based on abundant transition metals, CoFeNiMnZnB. This metal boride provides excellent performance toward the oxygen evolution reaction (OER), including a low overpotential of 261 mV at 10 mA cm–2, a reduced Tafel slope of 56.8 mV dec–1, and very high stability. The outstanding OER performance of CoFeNiMnZnB is attributed to the synergistic interactions between the different metals, the leaching of Zn ions, the generation of oxygen vacancies, and the in situ formation of an amorphous oxyhydroxide at the CoFeNiMnZnB surface during the OER."}],"citation":{"ama":"Wang X, Zuo Y, Horta S, et al. CoFeNiMnZnB as a high-entropy metal boride to boost the oxygen evolution reaction. <i>ACS Applied Materials &#38; Interfaces</i>. 2022;14(42):48212-48219. doi:<a href=\"https://doi.org/10.1021/acsami.2c11627\">10.1021/acsami.2c11627</a>","ieee":"X. Wang <i>et al.</i>, “CoFeNiMnZnB as a high-entropy metal boride to boost the oxygen evolution reaction,” <i>ACS Applied Materials &#38; Interfaces</i>, vol. 14, no. 42. American Chemical Society, pp. 48212–48219, 2022.","ista":"Wang X, Zuo Y, Horta S, He R, Yang L, Ostovari Moghaddam A, Ibáñez M, Qi X, Cabot A. 2022. CoFeNiMnZnB as a high-entropy metal boride to boost the oxygen evolution reaction. ACS Applied Materials &#38; Interfaces. 14(42), 48212–48219.","short":"X. Wang, Y. Zuo, S. Horta, R. He, L. Yang, A. Ostovari Moghaddam, M. Ibáñez, X. Qi, A. Cabot, ACS Applied Materials &#38; Interfaces 14 (2022) 48212–48219.","apa":"Wang, X., Zuo, Y., Horta, S., He, R., Yang, L., Ostovari Moghaddam, A., … Cabot, A. (2022). CoFeNiMnZnB as a high-entropy metal boride to boost the oxygen evolution reaction. <i>ACS Applied Materials &#38; Interfaces</i>. American Chemical Society. <a href=\"https://doi.org/10.1021/acsami.2c11627\">https://doi.org/10.1021/acsami.2c11627</a>","chicago":"Wang, Xiang, Yong Zuo, Sharona Horta, Ren He, Linlin Yang, Ahmad Ostovari Moghaddam, Maria Ibáñez, Xueqiang Qi, and Andreu Cabot. “CoFeNiMnZnB as a High-Entropy Metal Boride to Boost the Oxygen Evolution Reaction.” <i>ACS Applied Materials &#38; Interfaces</i>. American Chemical Society, 2022. <a href=\"https://doi.org/10.1021/acsami.2c11627\">https://doi.org/10.1021/acsami.2c11627</a>.","mla":"Wang, Xiang, et al. “CoFeNiMnZnB as a High-Entropy Metal Boride to Boost the Oxygen Evolution Reaction.” <i>ACS Applied Materials &#38; Interfaces</i>, vol. 14, no. 42, American Chemical Society, 2022, pp. 48212–19, doi:<a href=\"https://doi.org/10.1021/acsami.2c11627\">10.1021/acsami.2c11627</a>."},"year":"2022","oa_version":"None","article_processing_charge":"No","publication_status":"published","title":"CoFeNiMnZnB as a high-entropy metal boride to boost the oxygen evolution reaction","acknowledgement":"This work was supported by the Spanish MCIN project COMBENERGY (PID2019-105490RB-C32). X.W. and L.Y. thank the China Scholarship Council (CSC) for the scholarship support.","publication_identifier":{"issn":["1944-8244"],"eissn":["1944-8252"]},"article_type":"original","scopus_import":"1","doi":"10.1021/acsami.2c11627"},{"quality_controlled":"1","page":"8471-8489","day":"20","issue":"19","tmp":{"name":"Creative Commons Attribution 4.0 International Public License (CC-BY 4.0)","image":"/images/cc_by.png","legal_code_url":"https://creativecommons.org/licenses/by/4.0/legalcode","short":"CC BY (4.0)"},"has_accepted_license":"1","project":[{"_id":"2564DBCA-B435-11E9-9278-68D0E5697425","name":"International IST Doctoral Program","grant_number":"665385","call_identifier":"H2020"}],"date_published":"2022-09-20T00:00:00Z","external_id":{"isi":["000917837600001"],"pmid":["36248227"]},"type":"journal_article","publisher":"American Chemical Society","pmid":1,"month":"09","isi":1,"status":"public","language":[{"iso":"eng"}],"ddc":["540"],"keyword":["Materials Chemistry","General Chemical Engineering","General Chemistry"],"title":"Solution-processed inorganic thermoelectric materials: Opportunities and challenges","publication_status":"published","file_date_updated":"2023-01-30T07:35:09Z","article_processing_charge":"Yes (via OA deal)","oa_version":"Published Version","doi":"10.1021/acs.chemmater.2c01967","scopus_import":"1","article_type":"original","acknowledgement":"This work was financially supported by ISTA and the Werner Siemens Foundation. 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.","publication_identifier":{"eissn":["1520-5002"],"issn":["0897-4756"]},"_id":"12237","date_created":"2023-01-16T09:51:26Z","file":[{"access_level":"open_access","success":1,"file_name":"2022_ChemistryMaterials_Fiedler.pdf","date_created":"2023-01-30T07:35:09Z","relation":"main_file","date_updated":"2023-01-30T07:35:09Z","file_size":10923495,"content_type":"application/pdf","file_id":"12434","creator":"dernst","checksum":"f7143e44ab510519d1949099c3558532"}],"year":"2022","citation":{"mla":"Fiedler, Christine, et al. “Solution-Processed Inorganic Thermoelectric Materials: Opportunities and Challenges.” <i>Chemistry of Materials</i>, vol. 34, no. 19, American Chemical Society, 2022, pp. 8471–89, doi:<a href=\"https://doi.org/10.1021/acs.chemmater.2c01967\">10.1021/acs.chemmater.2c01967</a>.","apa":"Fiedler, C., Kleinhanns, T., Garcia, M., Lee, S., Calcabrini, M., &#38; Ibáñez, M. (2022). Solution-processed inorganic thermoelectric materials: Opportunities and challenges. <i>Chemistry of Materials</i>. American Chemical Society. <a href=\"https://doi.org/10.1021/acs.chemmater.2c01967\">https://doi.org/10.1021/acs.chemmater.2c01967</a>","short":"C. Fiedler, T. Kleinhanns, M. Garcia, S. Lee, M. Calcabrini, M. Ibáñez, Chemistry of Materials 34 (2022) 8471–8489.","chicago":"Fiedler, Christine, Tobias Kleinhanns, Maria Garcia, Seungho Lee, Mariano Calcabrini, and Maria Ibáñez. “Solution-Processed Inorganic Thermoelectric Materials: Opportunities and Challenges.” <i>Chemistry of Materials</i>. American Chemical Society, 2022. <a href=\"https://doi.org/10.1021/acs.chemmater.2c01967\">https://doi.org/10.1021/acs.chemmater.2c01967</a>.","ista":"Fiedler C, Kleinhanns T, Garcia M, Lee S, Calcabrini M, Ibáñez M. 2022. Solution-processed inorganic thermoelectric materials: Opportunities and challenges. Chemistry of Materials. 34(19), 8471–8489.","ieee":"C. Fiedler, T. Kleinhanns, M. Garcia, S. Lee, M. Calcabrini, and M. Ibáñez, “Solution-processed inorganic thermoelectric materials: Opportunities and challenges,” <i>Chemistry of Materials</i>, vol. 34, no. 19. American Chemical Society, pp. 8471–8489, 2022.","ama":"Fiedler C, Kleinhanns T, Garcia M, Lee S, Calcabrini M, Ibáñez M. Solution-processed inorganic thermoelectric materials: Opportunities and challenges. <i>Chemistry of Materials</i>. 2022;34(19):8471-8489. doi:<a href=\"https://doi.org/10.1021/acs.chemmater.2c01967\">10.1021/acs.chemmater.2c01967</a>"},"abstract":[{"text":"Thermoelectric technology requires synthesizing complex materials where not only the crystal structure but also other structural features such as defects, grain size and orientation, and interfaces must be controlled. To date, conventional solid-state techniques are unable to provide this level of control. Herein, we present a synthetic approach in which dense inorganic thermoelectric materials are produced by the consolidation of well-defined nanoparticle powders. The idea is that controlling the characteristics of the powder allows the chemical transformations that take place during consolidation to be guided, ultimately yielding inorganic solids with targeted features. Different from conventional methods, syntheses in solution can produce particles with unprecedented control over their size, shape, crystal structure, composition, and surface chemistry. However, to date, most works have focused only on the low-cost benefits of this strategy. In this perspective, we first cover the opportunities that solution processing of the powder offers, emphasizing the potential structural features that can be controlled by precisely engineering the inorganic core of the particle, the surface, and the organization of the particles before consolidation. We then discuss the challenges of this synthetic approach and more practical matters related to solution processing. Finally, we suggest some good practices for adequate knowledge transfer and improving reproducibility among different laboratories.","lang":"eng"}],"oa":1,"related_material":{"record":[{"status":"public","relation":"dissertation_contains","id":"12885"}]},"volume":34,"author":[{"id":"bd3fceba-dc74-11ea-a0a7-c17f71817366","full_name":"Fiedler, Christine","first_name":"Christine","last_name":"Fiedler"},{"first_name":"Tobias","last_name":"Kleinhanns","id":"8BD9DE16-AB3C-11E9-9C8C-2A03E6697425","full_name":"Kleinhanns, Tobias"},{"id":"6e5c50b8-97dc-11ed-be98-b0a74c84cae0","full_name":"Garcia, Maria","first_name":"Maria","last_name":"Garcia"},{"id":"BB243B88-D767-11E9-B658-BC13E6697425","orcid":"0000-0002-6962-8598","full_name":"Lee, Seungho","first_name":"Seungho","last_name":"Lee"},{"last_name":"Calcabrini","first_name":"Mariano","full_name":"Calcabrini, Mariano","id":"45D7531A-F248-11E8-B48F-1D18A9856A87"},{"first_name":"Maria","last_name":"Ibáñez","orcid":"0000-0001-5013-2843","id":"43C61214-F248-11E8-B48F-1D18A9856A87","full_name":"Ibáñez, Maria"}],"user_id":"4359f0d1-fa6c-11eb-b949-802e58b17ae8","department":[{"_id":"MaIb"}],"publication":"Chemistry of Materials","ec_funded":1,"date_updated":"2023-08-04T09:38:26Z","intvolume":"        34"},{"article_type":"original","publication_identifier":{"issn":["2079-4991"]},"acknowledgement":"This work was supported by the Austrian Science Funds (W1243, I 3456-N27, I 5539-N).\r\nOpen Access Funding by the Austrian Science Fund (FWF).","doi":"10.3390/nano12142492","scopus_import":"1","file_date_updated":"2023-01-30T11:16:54Z","oa_version":"Published Version","article_processing_charge":"Yes","title":"Band structure near the Dirac Point in HgTe quantum wells with critical thickness","publication_status":"published","abstract":[{"text":"Mercury telluride (HgTe) thin films with a critical thickness of 6.5 nm are predicted to possess a gapless Dirac-like band structure. We report a comprehensive study on gated and optically doped samples by magnetooptical spectroscopy in the THz range. The quasi-classical analysis of the cyclotron resonance allowed the mapping of the band dispersion of Dirac charge carriers in a broad range of electron and hole doping. A smooth transition through the charge neutrality point between Dirac holes and electrons was observed. An additional peak coming from a second type of holes with an almost density-independent mass of around 0.04m0 was detected in the hole-doping range and attributed to an asymmetric spin splitting of the Dirac cone. Spectroscopic evidence for disorder-induced band energy fluctuations could not be detected in present cyclotron resonance experiments.","lang":"eng"}],"year":"2022","article_number":"2492","citation":{"mla":"Shuvaev, Alexey, et al. “Band Structure near the Dirac Point in HgTe Quantum Wells with Critical Thickness.” <i>Nanomaterials</i>, vol. 12, no. 14, 2492, MDPI, 2022, doi:<a href=\"https://doi.org/10.3390/nano12142492\">10.3390/nano12142492</a>.","short":"A. Shuvaev, U. Dziom, J. Gospodarič, E.G. Novik, A.A. Dobretsova, N.N. Mikhailov, Z.D. Kvon, A. Pimenov, Nanomaterials 12 (2022).","apa":"Shuvaev, A., Dziom, U., Gospodarič, J., Novik, E. G., Dobretsova, A. A., Mikhailov, N. N., … Pimenov, A. (2022). Band structure near the Dirac Point in HgTe quantum wells with critical thickness. <i>Nanomaterials</i>. MDPI. <a href=\"https://doi.org/10.3390/nano12142492\">https://doi.org/10.3390/nano12142492</a>","chicago":"Shuvaev, Alexey, Uladzislau Dziom, Jan Gospodarič, Elena G. Novik, Alena A. Dobretsova, Nikolay N. Mikhailov, Ze Don Kvon, and Andrei Pimenov. “Band Structure near the Dirac Point in HgTe Quantum Wells with Critical Thickness.” <i>Nanomaterials</i>. MDPI, 2022. <a href=\"https://doi.org/10.3390/nano12142492\">https://doi.org/10.3390/nano12142492</a>.","ama":"Shuvaev A, Dziom U, Gospodarič J, et al. Band structure near the Dirac Point in HgTe quantum wells with critical thickness. <i>Nanomaterials</i>. 2022;12(14). doi:<a href=\"https://doi.org/10.3390/nano12142492\">10.3390/nano12142492</a>","ista":"Shuvaev A, Dziom U, Gospodarič J, Novik EG, Dobretsova AA, Mikhailov NN, Kvon ZD, Pimenov A. 2022. Band structure near the Dirac Point in HgTe quantum wells with critical thickness. Nanomaterials. 12(14), 2492.","ieee":"A. Shuvaev <i>et al.</i>, “Band structure near the Dirac Point in HgTe quantum wells with critical thickness,” <i>Nanomaterials</i>, vol. 12, no. 14. MDPI, 2022."},"_id":"12278","date_created":"2023-01-16T10:02:31Z","file":[{"file_name":"2022_Nanomaterials_Shuvaev.pdf","access_level":"open_access","success":1,"file_size":464840,"relation":"main_file","date_created":"2023-01-30T11:16:54Z","date_updated":"2023-01-30T11:16:54Z","file_id":"12459","creator":"dernst","content_type":"application/pdf","checksum":"efad6742f89f39a18bec63116dd689a0"}],"user_id":"2DF688A6-F248-11E8-B48F-1D18A9856A87","author":[{"full_name":"Shuvaev, Alexey","last_name":"Shuvaev","first_name":"Alexey"},{"id":"6A9A37C2-8C5C-11E9-AE53-F2FDE5697425","orcid":"0000-0002-1648-0999","full_name":"Dziom, Uladzislau","first_name":"Uladzislau","last_name":"Dziom"},{"full_name":"Gospodarič, Jan","first_name":"Jan","last_name":"Gospodarič"},{"full_name":"Novik, Elena G.","last_name":"Novik","first_name":"Elena G."},{"last_name":"Dobretsova","first_name":"Alena A.","full_name":"Dobretsova, Alena A."},{"full_name":"Mikhailov, Nikolay N.","last_name":"Mikhailov","first_name":"Nikolay N."},{"last_name":"Kvon","first_name":"Ze Don","full_name":"Kvon, Ze Don"},{"first_name":"Andrei","last_name":"Pimenov","full_name":"Pimenov, Andrei"}],"oa":1,"volume":12,"intvolume":"        12","publication":"Nanomaterials","date_updated":"2023-10-17T11:41:28Z","department":[{"_id":"ZhAl"}],"day":"20","quality_controlled":"1","has_accepted_license":"1","tmp":{"name":"Creative Commons Attribution 4.0 International Public License (CC-BY 4.0)","image":"/images/cc_by.png","legal_code_url":"https://creativecommons.org/licenses/by/4.0/legalcode","short":"CC BY (4.0)"},"issue":"14","publisher":"MDPI","external_id":{"isi":["000834401600001"]},"date_published":"2022-07-20T00:00:00Z","type":"journal_article","keyword":["General Materials Science","General Chemical Engineering"],"language":[{"iso":"eng"}],"ddc":["530"],"status":"public","month":"07","isi":1},{"oa":1,"volume":5,"user_id":"2DF688A6-F248-11E8-B48F-1D18A9856A87","author":[{"full_name":"Yanshyna, Oksana","last_name":"Yanshyna","first_name":"Oksana"},{"last_name":"Białek","first_name":"Michał J.","full_name":"Białek, Michał J."},{"full_name":"Chashchikhin, Oleg V.","last_name":"Chashchikhin","first_name":"Oleg V."},{"id":"8e84690e-1e48-11ed-a02b-a1e6fb8bb53b","full_name":"Klajn, Rafal","first_name":"Rafal","last_name":"Klajn"}],"publication":"Communications Chemistry","date_updated":"2023-08-02T06:41:54Z","intvolume":"         5","article_processing_charge":"No","oa_version":"Published Version","publication_status":"published","title":"Encapsulation within a coordination cage modulates the reactivity of redox-active dyes","article_type":"original","publication_identifier":{"eissn":["2399-3669"]},"main_file_link":[{"url":"https://doi.org/10.1038/s42004-022-00658-8","open_access":"1"}],"doi":"10.1038/s42004-022-00658-8","scopus_import":"1","_id":"13347","date_created":"2023-08-01T09:30:47Z","abstract":[{"text":"Confining molecules within well-defined nanosized spaces can profoundly alter their physicochemical characteristics. For example, the controlled aggregation of chromophores into discrete oligomers has been shown to tune their optical properties whereas encapsulation of reactive species within molecular hosts can increase their stability. The resazurin/resorufin pair has been widely used for detecting redox processes in biological settings; yet, how tight confinement affects the properties of these two dyes remains to be explored. Here, we show that a flexible Pd<jats:sup>II</jats:sup><jats:sub>6</jats:sub>L<jats:sub>4</jats:sub> coordination cage can efficiently encapsulate both resorufin and resazurin in the form of dimers, dramatically modulating their optical properties. Furthermore, binding within the cage significantly decreases the reduction rate of resazurin to resorufin, and the rate of the subsequent reduction of resorufin to dihydroresorufin. During our studies, we also found that upon dilution, the Pd<jats:sup>II</jats:sup><jats:sub>6</jats:sub>L<jats:sub>4</jats:sub> cage disassembles to afford Pd<jats:sup>II</jats:sup><jats:sub>2</jats:sub>L<jats:sub>2</jats:sub> species, which lacks the ability to form inclusion complexes – a process that can be reversed upon the addition of the strongly binding resorufin/resazurin guests. We expect that the herein disclosed ability of a water-soluble cage to reversibly modulate the optical and chemical properties of a molecular redox probe will expand the versatility of synthetic fluorescent probes in biologically relevant environments.","lang":"eng"}],"article_number":"44","year":"2022","citation":{"short":"O. Yanshyna, M.J. Białek, O.V. Chashchikhin, R. Klajn, Communications Chemistry 5 (2022).","apa":"Yanshyna, O., Białek, M. J., Chashchikhin, O. V., &#38; Klajn, R. (2022). Encapsulation within a coordination cage modulates the reactivity of redox-active dyes. <i>Communications Chemistry</i>. Springer Nature. <a href=\"https://doi.org/10.1038/s42004-022-00658-8\">https://doi.org/10.1038/s42004-022-00658-8</a>","chicago":"Yanshyna, Oksana, Michał J. Białek, Oleg V. Chashchikhin, and Rafal Klajn. “Encapsulation within a Coordination Cage Modulates the Reactivity of Redox-Active Dyes.” <i>Communications Chemistry</i>. Springer Nature, 2022. <a href=\"https://doi.org/10.1038/s42004-022-00658-8\">https://doi.org/10.1038/s42004-022-00658-8</a>.","mla":"Yanshyna, Oksana, et al. “Encapsulation within a Coordination Cage Modulates the Reactivity of Redox-Active Dyes.” <i>Communications Chemistry</i>, vol. 5, 44, Springer Nature, 2022, doi:<a href=\"https://doi.org/10.1038/s42004-022-00658-8\">10.1038/s42004-022-00658-8</a>.","ista":"Yanshyna O, Białek MJ, Chashchikhin OV, Klajn R. 2022. Encapsulation within a coordination cage modulates the reactivity of redox-active dyes. Communications Chemistry. 5, 44.","ieee":"O. Yanshyna, M. J. Białek, O. V. Chashchikhin, and R. Klajn, “Encapsulation within a coordination cage modulates the reactivity of redox-active dyes,” <i>Communications Chemistry</i>, vol. 5. Springer Nature, 2022.","ama":"Yanshyna O, Białek MJ, Chashchikhin OV, Klajn R. Encapsulation within a coordination cage modulates the reactivity of redox-active dyes. <i>Communications Chemistry</i>. 2022;5. doi:<a href=\"https://doi.org/10.1038/s42004-022-00658-8\">10.1038/s42004-022-00658-8</a>"},"date_published":"2022-03-30T00:00:00Z","type":"journal_article","publisher":"Springer Nature","status":"public","month":"03","keyword":["Materials Chemistry","Biochemistry","Environmental Chemistry","General Chemistry"],"extern":"1","language":[{"iso":"eng"}],"quality_controlled":"1","day":"30"},{"language":[{"iso":"eng"}],"extern":"1","keyword":["Materials Chemistry","Biochemistry (medical)","General Chemical Engineering","Environmental Chemistry","Biochemistry","General Chemistry"],"month":"09","status":"public","pmid":1,"publisher":"Elsevier","type":"journal_article","date_published":"2022-09-08T00:00:00Z","external_id":{"pmid":["36133801"]},"issue":"9","page":"2362-2379","day":"08","quality_controlled":"1","intvolume":"         8","date_updated":"2023-08-02T09:39:35Z","publication":"Chem","author":[{"last_name":"Gemen","first_name":"Julius","full_name":"Gemen, Julius"},{"last_name":"Białek","first_name":"Michał J.","full_name":"Białek, Michał J."},{"full_name":"Kazes, Miri","last_name":"Kazes","first_name":"Miri"},{"first_name":"Linda J.W.","last_name":"Shimon","full_name":"Shimon, Linda J.W."},{"last_name":"Feller","first_name":"Moran","full_name":"Feller, Moran"},{"last_name":"Semenov","first_name":"Sergey N.","full_name":"Semenov, Sergey N."},{"last_name":"Diskin-Posner","first_name":"Yael","full_name":"Diskin-Posner, Yael"},{"full_name":"Oron, Dan","last_name":"Oron","first_name":"Dan"},{"id":"8e84690e-1e48-11ed-a02b-a1e6fb8bb53b","full_name":"Klajn, Rafal","first_name":"Rafal","last_name":"Klajn"}],"user_id":"2DF688A6-F248-11E8-B48F-1D18A9856A87","volume":8,"oa":1,"citation":{"ieee":"J. Gemen <i>et al.</i>, “Ternary host-guest complexes with rapid exchange kinetics and photoswitchable fluorescence,” <i>Chem</i>, vol. 8, no. 9. Elsevier, pp. 2362–2379, 2022.","ista":"Gemen J, Białek MJ, Kazes M, Shimon LJW, Feller M, Semenov SN, Diskin-Posner Y, Oron D, Klajn R. 2022. Ternary host-guest complexes with rapid exchange kinetics and photoswitchable fluorescence. Chem. 8(9), 2362–2379.","ama":"Gemen J, Białek MJ, Kazes M, et al. Ternary host-guest complexes with rapid exchange kinetics and photoswitchable fluorescence. <i>Chem</i>. 2022;8(9):2362-2379. doi:<a href=\"https://doi.org/10.1016/j.chempr.2022.05.008\">10.1016/j.chempr.2022.05.008</a>","mla":"Gemen, Julius, et al. “Ternary Host-Guest Complexes with Rapid Exchange Kinetics and Photoswitchable Fluorescence.” <i>Chem</i>, vol. 8, no. 9, Elsevier, 2022, pp. 2362–79, doi:<a href=\"https://doi.org/10.1016/j.chempr.2022.05.008\">10.1016/j.chempr.2022.05.008</a>.","chicago":"Gemen, Julius, Michał J. Białek, Miri Kazes, Linda J.W. Shimon, Moran Feller, Sergey N. Semenov, Yael Diskin-Posner, Dan Oron, and Rafal Klajn. “Ternary Host-Guest Complexes with Rapid Exchange Kinetics and Photoswitchable Fluorescence.” <i>Chem</i>. Elsevier, 2022. <a href=\"https://doi.org/10.1016/j.chempr.2022.05.008\">https://doi.org/10.1016/j.chempr.2022.05.008</a>.","apa":"Gemen, J., Białek, M. J., Kazes, M., Shimon, L. J. W., Feller, M., Semenov, S. N., … Klajn, R. (2022). Ternary host-guest complexes with rapid exchange kinetics and photoswitchable fluorescence. <i>Chem</i>. Elsevier. <a href=\"https://doi.org/10.1016/j.chempr.2022.05.008\">https://doi.org/10.1016/j.chempr.2022.05.008</a>","short":"J. Gemen, M.J. Białek, M. Kazes, L.J.W. Shimon, M. Feller, S.N. Semenov, Y. Diskin-Posner, D. Oron, R. Klajn, Chem 8 (2022) 2362–2379."},"year":"2022","abstract":[{"text":"Confinement within molecular cages can dramatically modify the physicochemical properties of the encapsulated guest molecules, but such host-guest complexes have mainly been studied in a static context. Combining confinement effects with fast guest exchange kinetics could pave the way toward stimuli-responsive supramolecular systems—and ultimately materials—whose desired properties could be tailored “on demand” rapidly and reversibly. Here, we demonstrate rapid guest exchange between inclusion complexes of an open-window coordination cage that can simultaneously accommodate two guest molecules. Working with two types of guests, anthracene derivatives and BODIPY dyes, we show that the former can substantially modify the optical properties of the latter upon noncovalent heterodimer formation. We also studied the light-induced covalent dimerization of encapsulated anthracenes and found large effects of confinement on reaction rates. By coupling the photodimerization with the rapid guest exchange, we developed a new way to modulate fluorescence using external irradiation.","lang":"eng"}],"date_created":"2023-08-01T09:32:14Z","_id":"13350","scopus_import":"1","main_file_link":[{"url":"https://doi.org/10.1016/j.chempr.2022.05.008","open_access":"1"}],"doi":"10.1016/j.chempr.2022.05.008","publication_identifier":{"issn":["2451-9308"],"eissn":["2451-9294"]},"article_type":"original","title":"Ternary host-guest complexes with rapid exchange kinetics and photoswitchable fluorescence","publication_status":"published","article_processing_charge":"No","oa_version":"Published Version"},{"issue":"5","quality_controlled":"1","day":"12","page":"1183-1186","status":"public","month":"05","keyword":["Materials Chemistry","Biochemistry (medical)","General Chemical Engineering","Environmental Chemistry","Biochemistry","General Chemistry"],"extern":"1","language":[{"iso":"eng"}],"date_published":"2022-05-12T00:00:00Z","type":"journal_article","publisher":"Elsevier","_id":"13351","date_created":"2023-08-01T09:32:27Z","abstract":[{"lang":"eng","text":"Molecular recognition is at the heart of the noncovalent synthesis of supramolecular assemblies and, at higher length scales, supramolecular materials. In a recent publication in Nature, Stoddart and co-workers demonstrate that the formation of host-guest complexes can be catalyzed by one of the simplest possible catalysts: the electron."}],"year":"2022","citation":{"mla":"Gemen, Julius, and Rafal Klajn. “Electron Catalysis Expands the Supramolecular Chemist’s Toolbox.” <i>Chem</i>, vol. 8, no. 5, Elsevier, 2022, pp. 1183–86, doi:<a href=\"https://doi.org/10.1016/j.chempr.2022.04.022\">10.1016/j.chempr.2022.04.022</a>.","chicago":"Gemen, Julius, and Rafal Klajn. “Electron Catalysis Expands the Supramolecular Chemist’s Toolbox.” <i>Chem</i>. Elsevier, 2022. <a href=\"https://doi.org/10.1016/j.chempr.2022.04.022\">https://doi.org/10.1016/j.chempr.2022.04.022</a>.","short":"J. Gemen, R. Klajn, Chem 8 (2022) 1183–1186.","apa":"Gemen, J., &#38; Klajn, R. (2022). Electron catalysis expands the supramolecular chemist’s toolbox. <i>Chem</i>. Elsevier. <a href=\"https://doi.org/10.1016/j.chempr.2022.04.022\">https://doi.org/10.1016/j.chempr.2022.04.022</a>","ama":"Gemen J, Klajn R. Electron catalysis expands the supramolecular chemist’s toolbox. <i>Chem</i>. 2022;8(5):1183-1186. doi:<a href=\"https://doi.org/10.1016/j.chempr.2022.04.022\">10.1016/j.chempr.2022.04.022</a>","ista":"Gemen J, Klajn R. 2022. Electron catalysis expands the supramolecular chemist’s toolbox. Chem. 8(5), 1183–1186.","ieee":"J. Gemen and R. Klajn, “Electron catalysis expands the supramolecular chemist’s toolbox,” <i>Chem</i>, vol. 8, no. 5. Elsevier, pp. 1183–1186, 2022."},"oa_version":"Published Version","article_processing_charge":"No","publication_status":"published","title":"Electron catalysis expands the supramolecular chemist’s toolbox","article_type":"original","publication_identifier":{"issn":["2451-9308"],"eissn":["2451-9294"]},"main_file_link":[{"open_access":"1","url":"https://doi.org/10.1016/j.chempr.2022.04.022"}],"doi":"10.1016/j.chempr.2022.04.022","scopus_import":"1","publication":"Chem","date_updated":"2023-08-02T07:24:57Z","intvolume":"         8","oa":1,"volume":8,"user_id":"2DF688A6-F248-11E8-B48F-1D18A9856A87","author":[{"full_name":"Gemen, Julius","first_name":"Julius","last_name":"Gemen"},{"id":"8e84690e-1e48-11ed-a02b-a1e6fb8bb53b","full_name":"Klajn, Rafal","first_name":"Rafal","last_name":"Klajn"}]}]