A first-principles investigation of substrate oxidation effects on the catalytic activity of a Co single-atom supported on C2N for the oxygen evolution reaction.
{"title":"A first-principles investigation of substrate oxidation effects on the catalytic activity of a Co single-atom supported on C<sub>2</sub>N for the oxygen evolution reaction.","authors":"Yifei Rao, Li Sheng, Yanan Zhou, Wenhua Zhang","doi":"10.1039/d4cc06763k","DOIUrl":null,"url":null,"abstract":"<p><p>In this work, the substrate oxidation effects on the catalytic activity of a C<sub>2</sub>N supported Co single-atom for the oxygen evolution reaction (OER) were theoretically investigated. The 2*OH-covered Co single atom on partially oxidized C<sub>2</sub>N (2*OH-Co@6O-C<sub>2</sub>N) achieves the highest OER performance with an overpotential of 0.32 V. Our work provides new considerations for the design of future single-atom electrocatalyst materials.</p>","PeriodicalId":67,"journal":{"name":"Chemical Communications","volume":" ","pages":""},"PeriodicalIF":4.3000,"publicationDate":"2025-02-13","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":"0","resultStr":null,"platform":"Semanticscholar","paperid":null,"PeriodicalName":"Chemical Communications","FirstCategoryId":"92","ListUrlMain":"https://doi.org/10.1039/d4cc06763k","RegionNum":2,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":null,"EPubDate":"","PubModel":"","JCR":"Q2","JCRName":"CHEMISTRY, MULTIDISCIPLINARY","Score":null,"Total":0}
引用次数: 0
Abstract
In this work, the substrate oxidation effects on the catalytic activity of a C2N supported Co single-atom for the oxygen evolution reaction (OER) were theoretically investigated. The 2*OH-covered Co single atom on partially oxidized C2N (2*OH-Co@6O-C2N) achieves the highest OER performance with an overpotential of 0.32 V. Our work provides new considerations for the design of future single-atom electrocatalyst materials.
期刊介绍：
ChemComm (Chemical Communications) is renowned as the fastest publisher of articles providing information on new avenues of research, drawn from all the world''s major areas of chemical research.
京公网安备 11010802042870号
京ICP备2023020795号-1
分享
求助内容：
应助结果提醒方式：
扫码关注我们
