The oxygen reduction reaction on graphitic carbon nitride supported single Ce atom and CexPt6-x cluster catalysts from first-principles
文献类型：期刊论文
| 作者 | Yingchun Ding; Ying Wang; Zhijian Wu; Feng He; Huiqi Li; Kai Li |
| 刊名 | CARBON
 |
| 出版日期 | 2018 |
| 文献子类 | 期刊论文 |
| 英文摘要 | The single atom or cluster catalysts supported by two dimensional (2D) materials are the most promising low cost alternatives to the pure Pt catalyst for the oxygen reduction reaction (ORR). In this work, we have in- vestigated the ORR mechanism on the g-C 3 N 4 supported single Ce atom (i.e., Ce/g-C 3 N 4 ) and cluster (i.e., Ce x Pt 6-x /g-C 3 N 4 ) theoretically. Our study shows that Ce atom can be tightly bound to the g-C 3 N 4 substrate and the presence of Ce atom is extremely favorable for the anchoring of Ce x Pt 6-x clusters on the substrate. The Ce/g-C 3 N 4 shows similar ORR catalytic activity compared with bulk Pt. The reaction is a four-electron process. The most favorable pathway is the hydrogenation of OOH to form O + H 2 O. On the other hand, Ce x Pt 6-x /g-C 3 N 4 (x=0, 1, 3, 5, 6) is thermodynamically stable and shows a very different catalytic behavior. Particularly, the working potential is predicted to be 0.50V for Ce 3 Pt 3 /g-C 3 N 4 , implying that it is a potential ORR catalyst. |
| URL标识 | 查看原文 |
| 语种 | 英语 |
| 源URL | [http://ir.siat.ac.cn:8080/handle/172644/14262]  |
| 专题 | 深圳先进技术研究院_医工所 |
| 推荐引用方式 GB/T 7714 | Yingchun Ding,Ying Wang,Zhijian Wu,et al. The oxygen reduction reaction on graphitic carbon nitride supported single Ce atom and CexPt6-x cluster catalysts from first-principles[J]. CARBON,2018. |
| APA | Yingchun Ding,Ying Wang,Zhijian Wu,Feng He,Huiqi Li,&Kai Li.(2018).The oxygen reduction reaction on graphitic carbon nitride supported single Ce atom and CexPt6-x cluster catalysts from first-principles.CARBON. |
| MLA | Yingchun Ding,et al."The oxygen reduction reaction on graphitic carbon nitride supported single Ce atom and CexPt6-x cluster catalysts from first-principles".CARBON (2018). |
入库方式： OAI收割
来源：深圳先进技术研究院
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