{"publication":"Advanced Materials","oa_version":"None","status":"public","article_type":"original","year":"2023","project":[{"_id":"9B8F7476-BA93-11EA-9121-9846C619BF3A","name":"HighTE: The Werner Siemens Laboratory for the High Throughput Discovery of Semiconductors for Waste Heat Recovery"}],"_id":"14434","citation":{"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>","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.","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).","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>."},"month":"07","title":"A 3d‐4d‐5d high entropy alloy as a bifunctional oxygen catalyst for robust aqueous zinc–air batteries","user_id":"2DF688A6-F248-11E8-B48F-1D18A9856A87","department":[{"_id":"MaIb"}],"external_id":{"isi":["001083876900001"],"pmid":["37487245"]},"acknowledged_ssus":[{"_id":"EM-Fac"}],"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."}],"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.","language":[{"iso":"eng"}],"date_created":"2023-10-17T10:52:23Z","pmid":1,"publisher":"Wiley","doi":"10.1002/adma.202303719","article_number":"2303719","day":"24","article_processing_charge":"No","isi":1,"date_updated":"2023-12-13T13:03:23Z","date_published":"2023-07-24T00:00:00Z","publication_status":"epub_ahead","quality_controlled":"1","author":[{"first_name":"Ren","last_name":"He","full_name":"He, Ren"},{"last_name":"Yang","first_name":"Linlin","full_name":"Yang, Linlin"},{"full_name":"Zhang, Yu","first_name":"Yu","last_name":"Zhang"},{"full_name":"Jiang, Daochuan","first_name":"Daochuan","last_name":"Jiang"},{"id":"BB243B88-D767-11E9-B658-BC13E6697425","last_name":"Lee","first_name":"Seungho","full_name":"Lee, Seungho","orcid":"0000-0002-6962-8598"},{"first_name":"Sharona","id":"03a7e858-01b1-11ec-8b71-99ae6c4a05bc","last_name":"Horta","full_name":"Horta, Sharona"},{"last_name":"Liang","first_name":"Zhifu","full_name":"Liang, Zhifu"},{"full_name":"Lu, Xuan","last_name":"Lu","first_name":"Xuan"},{"full_name":"Ostovari Moghaddam, Ahmad","first_name":"Ahmad","last_name":"Ostovari Moghaddam"},{"full_name":"Li, Junshan","first_name":"Junshan","last_name":"Li"},{"id":"43C61214-F248-11E8-B48F-1D18A9856A87","last_name":"Ibáñez","first_name":"Maria","orcid":"0000-0001-5013-2843","full_name":"Ibáñez, Maria"},{"last_name":"Xu","first_name":"Ying","full_name":"Xu, Ying"},{"full_name":"Zhou, Yingtang","first_name":"Yingtang","last_name":"Zhou"},{"full_name":"Cabot, Andreu","first_name":"Andreu","last_name":"Cabot"}],"keyword":["Mechanical Engineering","Mechanics of Materials","General Materials Science"],"type":"journal_article","publication_identifier":{"issn":["0935-9648","1521-4095"]}}