Design of Effective Graphene with the TM/O Moiety for the Oxygen Electrode Reaction
文献类型：期刊论文
| 作者 | Xiao, BB; Liu, HY; Yang, L; Song, EH; Jiang, XB; Jiang, Q |
| 刊名 | ACS APPLIED ENERGY MATERIALS
 |
| 出版日期 | 2020 |
| 期号 | 1页码:260 |
| ISSN号 | 2574-0962 |
| DOI | 10.1021/acsaem.9b01457 |
| 文献子类 | Article |
| 英文摘要 | Development of effective bifunctional electrocatalysts for the oxygen electrode reaction is desirable. In this work, the electrocatalytic performance of transition metals and oxygen (TM/O) codecorated graphene is evaluated by density functional theory calculations. The outstanding NiO2-pen moiety (a NiO2C2 structure with O atoms in the pentatomic ring) is screened out due to its low overpotential and good stability. Furthermore, the results indicate that the catalytic activity of TM/O sites is inversely correlated with the binding energy E-b. The enhanced E-b weakens the adsorption ability and decreases the corresponding overpotentials. Our finding provides a rational strategy to design functional carbonbased electrocatalysts. |
| WOS关键词 | REDUCTION REACTION ; TRANSITION-METALS ; ELECTROCHEMICAL REDUCTION ; RATIONAL DESIGN ; COHESIVE ENERGY ; CATALYSTS ; EVOLUTION ; SURFACE ; SINGLE ; ELECTROCATALYSTS |
| WOS研究方向 | Chemistry ; Energy & Fuels ; Materials Science |
| 语种 | 英语 |
| 出版者 | AMER CHEMICAL SOC |
| 源URL | [http://ir.sic.ac.cn/handle/331005/28395]  |
| 专题 | 中国科学院上海硅酸盐研究所 |
| 推荐引用方式 GB/T 7714 | Xiao, BB,Liu, HY,Yang, L,et al. Design of Effective Graphene with the TM/O Moiety for the Oxygen Electrode Reaction[J]. ACS APPLIED ENERGY MATERIALS,2020(1):260. |
| APA | Xiao, BB,Liu, HY,Yang, L,Song, EH,Jiang, XB,&Jiang, Q.(2020).Design of Effective Graphene with the TM/O Moiety for the Oxygen Electrode Reaction.ACS APPLIED ENERGY MATERIALS(1),260. |
| MLA | Xiao, BB,et al."Design of Effective Graphene with the TM/O Moiety for the Oxygen Electrode Reaction".ACS APPLIED ENERGY MATERIALS .1(2020):260. |
入库方式： OAI收割
来源：上海硅酸盐研究所
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