Heterogeneous single-cluster catalysts (Mn-3, Fe-3, Co-3, and Mo-3) supported on nitrogen-doped graphene for robust electrochemical nitrogen reduction
文献类型：期刊论文
| 作者 | Zheng, Guokui; Li, Lei; Tian, Ziqi; Zhang, Xingwang; Chen, Liang |
| 刊名 | JOURNAL OF ENERGY CHEMISTRY
 |
| 出版日期 | 2021 |
| 卷号 | 54页码:612-619 |
| 关键词 | ATOM CATALYSTS AMMONIA-SYNTHESIS OXYGEN REDUCTION N-2 REDUCTION FIXATION ELECTROREDUCTION ELECTROCATALYST PERFORMANCE STRATEGIES MONOLAYER |
| 英文摘要 | Electrochemical nitrogen reduction reaction (NRR) is one of the most promising alternatives to the traditional Haber-Bosch process. Designing efficient electrocatalysts is still challenging. Inspired by the recent experimental and theoretical advances on single-cluster catalysts (SCCs), we systematically investigated the catalytic performance of various triple-transition-metal-atom clusters anchored on nitrogen-doped graphene for NRR through density functional theory (DFT) calculation. Among them, Mn-3-N4, Fe-3-N4, Co-3-N4, and Mo-3-N4 were screened out as electrocatalysis systems composed of non-noble metal with high activity, selectivity, stability, and feasibility. Particularly, the Co-3-N4 possesses the highest activity with a limiting potential of -0.41 V through the enzymatic mechanism. The outstanding performance of Co-3-N4 can be attributed to the unique electronic structure leading to strong it backdonation, which is crucial in effective N-2 activation. This work not only predicts four efficient non-noble metal electrocatalysts for NRR, but also suggest the SCCs can serve as potential candidates for other important electrochemical reactions. (C) 2020 Science Press and Dalian Institute of Chemical Physics, Chinese Academy of Sciences. Published by ELSEVIER B.V. and Science Press. All rights reserved. |
| 源URL | [http://ir.nimte.ac.cn/handle/174433/22157]  |
| 专题 | 中国科学院宁波材料技术与工程研究所 2021专题_期刊论文 |
| 作者单位 | 1.Chen, L (corresponding author), Univ Chinese Acad Sci, Beijing 100049, Peoples R China. 2.Chen, L (corresponding author), Chinese Acad Sci, Ningbo Inst Mat Technol & Engn, Ningbo 315201, Zhejiang, Peoples R China. 3.Tian, ZQ 4.Zhang, XW (corresponding author), Zhejiang Univ, Coll Chem & Biol Engn, Key Lab Biomass Chem Engn, Minist Educ, Hangzhou 310027, Zhejiang, Peoples R China. |
| 推荐引用方式 GB/T 7714 | Zheng, Guokui,Li, Lei,Tian, Ziqi,et al. Heterogeneous single-cluster catalysts (Mn-3, Fe-3, Co-3, and Mo-3) supported on nitrogen-doped graphene for robust electrochemical nitrogen reduction[J]. JOURNAL OF ENERGY CHEMISTRY,2021,54:612-619. |
| APA | Zheng, Guokui,Li, Lei,Tian, Ziqi,Zhang, Xingwang,&Chen, Liang.(2021).Heterogeneous single-cluster catalysts (Mn-3, Fe-3, Co-3, and Mo-3) supported on nitrogen-doped graphene for robust electrochemical nitrogen reduction.JOURNAL OF ENERGY CHEMISTRY,54,612-619. |
| MLA | Zheng, Guokui,et al."Heterogeneous single-cluster catalysts (Mn-3, Fe-3, Co-3, and Mo-3) supported on nitrogen-doped graphene for robust electrochemical nitrogen reduction".JOURNAL OF ENERGY CHEMISTRY 54(2021):612-619. |
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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