Atomic cluster catalysis for electrochemical nitrogen Reduction: Boosted activity via V3 cluster anchored on Ti2CO2 MXene
文献类型：期刊论文
| 作者 | Cui, Chaonan1,4; Liu, Huiqi4; Jin, Rongrong4; Wei, Qiang3; Wang, Zhou-jun2,4 |
| 刊名 | CHEMICAL ENGINEERING SCIENCE
 |
| 出版日期 | 2026-04-01 |
| 卷号 | 324页码:123375 |
| 关键词 | Nitrogen reduction reaction Atomic cluster catalysis MXene V3O V clusters Ru clusters |
| ISSN号 | 0009-2509 |
| DOI | 10.1016/j.ces.2026.123375 |
| 产权排序 | 3 |
| 文献子类 | Article |
| 英文摘要 | The electrochemical reduction of N2 to ammonia is of great significance but still faces challenges in catalytic activity and selectivity. Atomic cluster supported catalysts have been proposed as promising candidates for N2 reduction due to their highly efficient active sites and maximized metal utilization. Herein, pristine Ti2CO2 and oxygen-vacancy-containing Ti2CO2-OvMXenes were employed as supports to systematically investigate the activity and selectivity of nitrogen reduction reaction (NRR) over single-atom, diatomic and triatomic V and Ru clusters anchored on these substrates. The catalytic performance of these catalysts was evaluated by comparing the N2 adsorption, limiting potentials and NH3 desorption. The results reveal that V3/Ti2CO2 exhibits outstanding NRR activity with a low limiting potential (-0.29 V), a moderate NH3 desorption energy (0.54 eV), and excellent suppression of the hydrogen evolution reaction (HER). The superior performance of V3/Ti2CO2 is associated with the unique binding structure of the V3O moiety, formed via extraction of one oxygen atom from the substrate, which modulates the electron distribution and facilitates the reduction process. This work broadens the scope of atomic cluster catalysis for NRR and provides a new strategy for designing efficient catalysts. |
| URL标识 | 查看原文 |
| WOS关键词 | TOTAL-ENERGY CALCULATIONS ; N-2 REDUCTION ; AMMONIA-SYNTHESIS ; ELECTROREDUCTION ; EFFICIENCY ; MONOLAYER ; SITES |
| WOS研究方向 | Engineering |
| 语种 | 英语 |
| WOS记录号 | WOS:001676483000009 |
| 出版者 | PERGAMON-ELSEVIER SCIENCE LTD |
| 源URL | [http://ir.igsnrr.ac.cn/handle/311030/220887]  |
| 专题 | 资源利用与环境修复重点实验室_外文论文 |
| 通讯作者 | Cui, Chaonan; Wang, Zhou-jun |
| 作者单位 | 1.Chinese Acad Sci, Inst Chem, State Key Lab Struct Chem Unstable & Stable Specie, Beijing 100190, Peoples R China; 2.Ningxia Univ, Coll Chem & Chem Engn, State Key Lab High Efficiency Utilizat Coal & Gree, Yinchuan 750021, Ningxia, Peoples R China 3.Chinese Acad Sci, Inst Geog Sci & Nat Resources Res, Beijing 100101, Peoples R China; 4.Beijing Univ Chem Technol, State Key Lab Chem Resource Engn, Beijing Key Lab Energy Environm Catalysis, Beijing 100029, Peoples R China; |
| 推荐引用方式 GB/T 7714 | Cui, Chaonan,Liu, Huiqi,Jin, Rongrong,et al. Atomic cluster catalysis for electrochemical nitrogen Reduction: Boosted activity via V3 cluster anchored on Ti2CO2 MXene[J]. CHEMICAL ENGINEERING SCIENCE,2026,324:123375. |
| APA | Cui, Chaonan,Liu, Huiqi,Jin, Rongrong,Wei, Qiang,&Wang, Zhou-jun.(2026).Atomic cluster catalysis for electrochemical nitrogen Reduction: Boosted activity via V3 cluster anchored on Ti2CO2 MXene.CHEMICAL ENGINEERING SCIENCE,324,123375. |
| MLA | Cui, Chaonan,et al."Atomic cluster catalysis for electrochemical nitrogen Reduction: Boosted activity via V3 cluster anchored on Ti2CO2 MXene".CHEMICAL ENGINEERING SCIENCE 324(2026):123375. |
入库方式： OAI收割
来源：地理科学与资源研究所
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