Theoretical Understanding of the Interface Effect in Promoting Electrochemical CO2 Reduction on Cu-Pd Alloys
文献类型：期刊论文
| 作者 | Li, Yanle; Tian, Ziqi; Chen, Liang |
| 刊名 | JOURNAL OF PHYSICAL CHEMISTRY C
 |
| 出版日期 | 2021 |
| 卷号 | 125期号:39页码:21381-21389 |
| 关键词 | METAL-ELECTRODES CARBON-MONOXIDE COPPER ELECTROREDUCTION SELECTIVITY CATALYSTS DIOXIDE FUEL |
| 英文摘要 | The electrochemical conversion of CO2 holds promise to relieve the excess CO2 emission and store renewable energy. Bimetallic copper-based alloys show outstanding activity and selectivity for the electrochemical CO2 reduction reaction (CO2RR). Understanding the catalytic nature of Cu-based alloys may promote the development of high-performance CO2RR electrocatalysts. The interface in the bimetallic system plays a key role in gaining C-2 products in experiments. Here, we performed theoretical simulations to compare the activity of ordered and phase-separated Cu-Pd alloy catalysts for CO2 conversion. The reaction pathways to CO, CH4, C2H4, and C2H5OH are analyzed in detail to uncover the interface effect. Our calculation shows that the ordered Cu-Pd surface is favorable for the formation of C-1 products. The interface between Cu and Pd domains promotes the C-C bond coupling and the subsequent formation of C-2 products. This study provides insights into the catalytic mechanism of the bimetallic system and will be beneficial for designing efficient Cu-based alloy catalysts for the electrochemical CO2RR. |
| 源URL | [http://ir.nimte.ac.cn/handle/174433/21406]  |
| 专题 | 2021专题_期刊论文 |
| 作者单位 | 1.Tian, ZQ 2.Chen, L (corresponding author), Chinese Acad Sci, Ningbo Inst Mat Technol & Engn, Ningbo 315201, Zhejiang, Peoples R China. |
| 推荐引用方式 GB/T 7714 | Li, Yanle,Tian, Ziqi,Chen, Liang. Theoretical Understanding of the Interface Effect in Promoting Electrochemical CO2 Reduction on Cu-Pd Alloys[J]. JOURNAL OF PHYSICAL CHEMISTRY C,2021,125(39):21381-21389. |
| APA | Li, Yanle,Tian, Ziqi,&Chen, Liang.(2021).Theoretical Understanding of the Interface Effect in Promoting Electrochemical CO2 Reduction on Cu-Pd Alloys.JOURNAL OF PHYSICAL CHEMISTRY C,125(39),21381-21389. |
| MLA | Li, Yanle,et al."Theoretical Understanding of the Interface Effect in Promoting Electrochemical CO2 Reduction on Cu-Pd Alloys".JOURNAL OF PHYSICAL CHEMISTRY C 125.39(2021):21381-21389. |
入库方式： OAI收割
来源：宁波材料技术与工程研究所
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