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Nanotechnol."],"published-print":{"date-parts":[[2025,1]]},"abstract":"<jats:title>Abstract<\/jats:title>\n          <jats:p>Advancements in single-atom-based catalysts are crucial for enhancing oxygen evolution reaction (OER) performance while reducing precious metal usage. A comprehensive understanding of underlying mechanisms will expedite this progress further. Here we report Ir single atoms coordinated out-of-plane with dimethylimidazole (MI) on CoFe hydroxide (Ir<jats:sub>1<\/jats:sub>\/(Co,Fe)-OH\/MI). This Ir<jats:sub>1<\/jats:sub>\/(Co,Fe)-OH\/MI catalyst, which was prepared using a simple immersion method, delivers ultralow overpotentials of 179\u2009mV at a current density of 10\u2009mA\u2009cm<jats:sup>\u22122<\/jats:sup> and 257\u2009mV at 600\u2009mA\u2009cm<jats:sup>\u22122<\/jats:sup> as well as an ultra-small Tafel slope of 24\u2009mV dec<jats:sup>\u22121<\/jats:sup>. Furthermore, Ir<jats:sub>1<\/jats:sub>\/(Co,Fe)-OH\/MI has a total mass activity exceeding that of commercial IrO<jats:sub>2<\/jats:sub> by a factor of 58.4. Ab initio simulations indicate that the coordination of MI leads to electron redistribution around the Ir sites. This causes a positive shift in the <jats:italic>d<\/jats:italic>-band centre at adjacent Ir and Co sites, facilitating an optimal energy pathway for OER.<\/jats:p>","DOI":"10.1038\/s41565-024-01807-x","type":"journal-article","created":{"date-parts":[[2024,10,21]],"date-time":"2024-10-21T10:03:24Z","timestamp":1729505004000},"page":"57-66","update-policy":"https:\/\/doi.org\/10.1007\/springer_crossmark_policy","source":"Crossref","is-referenced-by-count":172,"title":["Out-of-plane coordination of iridium single atoms with organic molecules and cobalt\u2013iron hydroxides to boost oxygen evolution reaction"],"prefix":"10.1038","volume":"20","author":[{"ORCID":"https:\/\/orcid.org\/0000-0002-0108-2189","authenticated-orcid":false,"given":"Jie","family":"Zhao","sequence":"first","affiliation":[],"role":[{"vocabulary":"crossref","role":"author"}]},{"ORCID":"https:\/\/orcid.org\/0000-0003-3702-8384","authenticated-orcid":false,"given":"Yue","family":"Guo","sequence":"additional","affiliation":[],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Zhiqi","family":"Zhang","sequence":"additional","affiliation":[],"role":[{"vocabulary":"crossref","role":"author"}]},{"ORCID":"https:\/\/orcid.org\/0000-0002-7141-5700","authenticated-orcid":false,"given":"Xilin","family":"Zhang","sequence":"additional","affiliation":[],"role":[{"vocabulary":"crossref","role":"author"}]},{"ORCID":"https:\/\/orcid.org\/0009-0001-0005-6931","authenticated-orcid":false,"given":"Qianqian","family":"Ji","sequence":"additional","affiliation":[],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Hua","family":"Zhang","sequence":"additional","affiliation":[],"role":[{"vocabulary":"crossref","role":"author"}]},{"ORCID":"https:\/\/orcid.org\/0000-0001-5440-0403","authenticated-orcid":false,"given":"Zhaoqi","family":"Song","sequence":"additional","affiliation":[],"role":[{"vocabulary":"crossref","role":"author"}]},{"ORCID":"https:\/\/orcid.org\/0000-0002-5989-1202","authenticated-orcid":false,"given":"Dongqing","family":"Liu","sequence":"additional","affiliation":[],"role":[{"vocabulary":"crossref","role":"author"}]},{"ORCID":"https:\/\/orcid.org\/0000-0003-4867-1893","authenticated-orcid":false,"given":"Jianrong","family":"Zeng","sequence":"additional","affiliation":[],"role":[{"vocabulary":"crossref","role":"author"}]},{"ORCID":"https:\/\/orcid.org\/0000-0001-8161-1521","authenticated-orcid":false,"given":"Chenghao","family":"Chuang","sequence":"additional","affiliation":[],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Erhuan","family":"Zhang","sequence":"additional","affiliation":[],"role":[{"vocabulary":"crossref","role":"author"}]},{"ORCID":"https:\/\/orcid.org\/0000-0003-2943-434X","authenticated-orcid":false,"given":"Yuhao","family":"Wang","sequence":"additional","affiliation":[],"role":[{"vocabulary":"crossref","role":"author"}]},{"ORCID":"https:\/\/orcid.org\/0000-0003-0324-2788","authenticated-orcid":false,"given":"Guangzhi","family":"Hu","sequence":"additional","affiliation":[],"role":[{"vocabulary":"crossref","role":"author"}]},{"ORCID":"https:\/\/orcid.org\/0009-0004-0073-1783","authenticated-orcid":false,"given":"Muhammad Asim","family":"Mushtaq","sequence":"additional","affiliation":[],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Waseem","family":"Raza","sequence":"additional","affiliation":[],"role":[{"vocabulary":"crossref","role":"author"}]},{"ORCID":"https:\/\/orcid.org\/0000-0003-3878-4456","authenticated-orcid":false,"given":"Xingke","family":"Cai","sequence":"additional","affiliation":[],"role":[{"vocabulary":"crossref","role":"author"}]},{"ORCID":"https:\/\/orcid.org\/0000-0003-0614-5537","authenticated-orcid":false,"given":"Francesco","family":"Ciucci","sequence":"additional","affiliation":[],"role":[{"vocabulary":"crossref","role":"author"}]}],"member":"297","published-online":{"date-parts":[[2024,10,21]]},"reference":[{"key":"1807_CR1","doi-asserted-by":"crossref","first-page":"294","DOI":"10.1038\/nature11475","volume":"488","author":"S Chu","year":"2012","unstructured":"Chu, S. & Majumdar, A. 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