Transition metal-doped alpha-borophene as potential oxygen and hydrogen evolution electrocatalyst: A density functional theory study
文献类型：期刊论文
| 作者 | Zhang, P; Xu, XJ; Song, EH; Hou, XL; Yang, XJ; Mi, JL; Huang, J; Stampfl, C |
| 刊名 | CATALYSIS COMMUNICATIONS
 |
| 出版日期 | 2020-09-01 |
| ISSN号 | 1566-7367 |
| DOI | 10.1016/j.catcom.2020.106090 |
| 文献子类 | Article |
| 英文摘要 | Based on density functional theory, transition metal-doped alpha-borophene was studied as potential electrocatalyst for the oxygen evolution reaction (OER) and the hydrogen evolution reaction (HER). It was found that Ni- and Pd-doped alpha-borophene sheets display advantageous catalytic activity toward OER, while Fe-, Co-, Cu-, Ru-, Rh-, Ag-, and Pt-doped alpha-borophene sheets can exhibit high catalytic activity toward HER. The most important aspect is that alpha-borophene can suppress the aggregation of Fe, Co, Ni, Cu, and Pd atoms toward clusters formation. Through rational selection, bimetal-doped alpha-borophene can exhibit excellent bifunctional catalysis toward OER and HER. |
| WOS关键词 | CATALYTIC-ACTIVITY ; REDUCTION ; CONVERSION ; MECHANISM ; AMMONIA ; DESIGN |
| WOS研究方向 | Chemistry |
| 语种 | 英语 |
| 出版者 | ELSEVIER |
| 源URL | [http://ir.sic.ac.cn/handle/331005/27796]  |
| 专题 | 中国科学院上海硅酸盐研究所 |
| 推荐引用方式 GB/T 7714 | Zhang, P,Xu, XJ,Song, EH,et al. Transition metal-doped alpha-borophene as potential oxygen and hydrogen evolution electrocatalyst: A density functional theory study[J]. CATALYSIS COMMUNICATIONS,2020. |
| APA | Zhang, P.,Xu, XJ.,Song, EH.,Hou, XL.,Yang, XJ.,...&Stampfl, C.(2020).Transition metal-doped alpha-borophene as potential oxygen and hydrogen evolution electrocatalyst: A density functional theory study.CATALYSIS COMMUNICATIONS. |
| MLA | Zhang, P,et al."Transition metal-doped alpha-borophene as potential oxygen and hydrogen evolution electrocatalyst: A density functional theory study".CATALYSIS COMMUNICATIONS (2020). |
入库方式： OAI收割
来源：上海硅酸盐研究所
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