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Sci."],"abstract":"<jats:p>\n                    The oxygen evolution reaction (OER) activity ordering of RuO\n                    <jats:sub>2<\/jats:sub>\n                    and IrO\n                    <jats:sub>2<\/jats:sub>\n                    is well established experimentally, yet density functional theory calculations have persistently failed to reproduce this trend, undermining computational catalyst design.\n                  <\/jats:p>","DOI":"10.1039\/d6sc04703c","type":"journal-article","created":{"date-parts":[[2026,10,9]],"date-time":"2026-10-09T02:43:12Z","timestamp":1791513792000},"update-policy":"https:\/\/doi.org\/10.1039\/rsc_crossmark_policy","source":"Crossref","is-referenced-by-count":0,"title":["Toward resolving the RuO\n                    <sub>2<\/sub>\n                    \/IrO\n                    <sub>2<\/sub>\n                    oxygen evolution activity puzzle: critical roles of spin polarization and exchange\u2013correlation functional accuracy"],"prefix":"10.1039","author":[{"given":"Xiaokun","family":"Xie","sequence":"first","affiliation":[{"name":"Department of Materials Science and Engineering, City University of Hong Kong, Hong Kong SAR, 999077, China"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Jiashun","family":"Wu","sequence":"additional","affiliation":[{"name":"Department of Materials Science and Engineering, City University of Hong Kong, Hong Kong SAR, 999077, China"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"ORCID":"https:\/\/orcid.org\/0000-0002-7016-9245","authenticated-orcid":false,"given":"Zhenbin","family":"Wang","sequence":"additional","affiliation":[{"name":"Department of Materials Science and Engineering, City University of Hong Kong, Hong Kong SAR, 999077, China"},{"name":"School of Energy and Environment, City University of Hong Kong, Hong Kong SAR, 999077, China"}],"role":[{"vocabulary":"crossref","role":"author"}]}],"member":"292","published-online":{"date-parts":[[2026]]},"reference":[{"key":"D6SC04703C\/cit1\/1","doi-asserted-by":"crossref","first-page":"eaad4998","DOI":"10.1126\/science.aad4998","volume":"355","author":"Seh","year":"2017","journal-title":"Science"},{"key":"D6SC04703C\/cit2\/1","doi-asserted-by":"crossref","first-page":"14058","DOI":"10.1021\/acscatal.3c03257","volume":"13","author":"Wei","year":"2023","journal-title":"ACS Catal."},{"key":"D6SC04703C\/cit3\/1","doi-asserted-by":"crossref","first-page":"1159","DOI":"10.1002\/cctc.201000397","volume":"3","author":"Man","year":"2011","journal-title":"ChemCatChem"},{"key":"D6SC04703C\/cit4\/1","doi-asserted-by":"crossref","first-page":"4827","DOI":"10.1021\/jp511426q","volume":"119","author":"Xu","year":"2015","journal-title":"J. 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