Chlorine vacancy-induced activation in two-dimensional transition metal dichlorides nanosheets for efficient CO electroreduction to C2+products
文献类型：期刊论文
| 作者 | Su, Qiwen1; Chen, Lei1; Yin, Lichang2; Zhao, Jingxiang1 |
| 刊名 | JOURNAL OF MATERIALS SCIENCE & TECHNOLOGY
 |
| 出版日期 | 2025-06-20 |
| 卷号 | 221页码:36-45 |
| 关键词 | Co electroreduction Multicarbon products 2D metal dichlorides Cl vacancy DFT computations |
| ISSN号 | 1005-0302 |
| DOI | 10.1016/j.jmst.2024.09.032 |
| 通讯作者 | Yin, Lichang(lcyin@imr.ac.cn) ; Zhao, Jingxiang(zhaojingxiang@hrbnu.edu.cn) |
| 英文摘要 | The electrochemical reduction of carbon monoxide (COER) to high-value multicarbon (C2 + ) products is an emerging strategy for artificial carbon fixation and renewable energy storage. However, the slow kinetics of the C-C coupling reaction remains a significant obstacle in achieving both high activity and selectivity for C2 + production. In this study, we demonstrated the use of defect engineering to promote COER towards C2 + products by introducing single chlorine vacancy (SVCl ) into two-dimensional (2D) non-noble transition metal dichlorides (TMCl2 ). Density functional theory (DFT) calculations revealed that SVCl in TMCl2 exhibits low formation energies and high stability, ensuring its feasibility for synthesis and application in electrocatalysis. The introduction of three-coordinated, unsaturated metal sites substantially enhances the catalytic activity of TMCl2 , facilitating effective CO activation. Notably, SVCl -engineered CoCl2 and NiCl2 nanosheets exhibit superior performance in COER, with SVCl @CoCl2 showing catalytic activity for ethanol and propanol production, and SVCl @NiCl2 favoring ethanol production due to a lower limiting potential and smaller kinetic barrier for C-C coupling. Consequently, defective 2D TMCl2 nanosheets represent a highly promising platform for converting CO into value-added C2 + products, warranting further experimental investigation into defect engineering for CO conversion. (c) 2025 Published by Elsevier Ltd on behalf of The editorial office of Journal of Materials Science & Technology. |
| 资助项目 | International Partnership Program of the Chinese Academy of Sciences[172GJHZ2022010MI] ; Natural Science Funds for Distin-guished Young Scholars of Heilongjiang Province[JC2018004] |
| WOS研究方向 | Materials Science ; Metallurgy & Metallurgical Engineering |
| 语种 | 英语 |
| WOS记录号 | WOS:001400392000001 |
| 出版者 | ELSEVIER |
| 资助机构 | International Partnership Program of the Chinese Academy of Sciences ; Natural Science Funds for Distin-guished Young Scholars of Heilongjiang Province |
| 源URL |  |
| 专题 | 金属研究所_中国科学院金属研究所 |
| 通讯作者 | Yin, Lichang; Zhao, Jingxiang |
| 作者单位 | 1.Harbin Normal Univ, Coll Chem & Chem Engn, Sch Phys & Elect Engn, Key Lab Photon & Elect Bandgap Mat, Harbin 150025, Peoples R China 2.Chinese Acad Sci, Inst Met Res, Shenyang Natl Lab Mat Sci, Shenyang 110016, Peoples R China |
| 推荐引用方式 GB/T 7714 | Su, Qiwen,Chen, Lei,Yin, Lichang,et al. Chlorine vacancy-induced activation in two-dimensional transition metal dichlorides nanosheets for efficient CO electroreduction to C2+products[J]. JOURNAL OF MATERIALS SCIENCE & TECHNOLOGY,2025,221:36-45. |
| APA | Su, Qiwen,Chen, Lei,Yin, Lichang,&Zhao, Jingxiang.(2025).Chlorine vacancy-induced activation in two-dimensional transition metal dichlorides nanosheets for efficient CO electroreduction to C2+products.JOURNAL OF MATERIALS SCIENCE & TECHNOLOGY,221,36-45. |
| MLA | Su, Qiwen,et al."Chlorine vacancy-induced activation in two-dimensional transition metal dichlorides nanosheets for efficient CO electroreduction to C2+products".JOURNAL OF MATERIALS SCIENCE & TECHNOLOGY 221(2025):36-45. |
入库方式： OAI收割
来源：金属研究所
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