Chlorine vacancy-induced activation in two-dimensional transition metal dichlorides nanosheets for efficient CO electroreduction to C2+products

doi:10.1016/j.jmst.2024.09.032

IMR OpenIR

	Chlorine vacancy-induced activation in two-dimensional transition metal dichlorides nanosheets for efficient CO electroreduction to C2+products
	Su, Qiwen 1; Chen, Lei 1; Yin, Lichang 2; Zhao, Jingxiang 1
通讯作者	Yin, Lichang(lcyin@imr.ac.cn) ; Zhao, Jingxiang(zhaojingxiang@hrbnu.edu.cn)
	2025-06-20
发表期刊	JOURNAL OF MATERIALS SCIENCE & TECHNOLOGY
ISSN	1005-0302
卷号	221 页码:36-45
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.
关键词	Co electroreduction Multicarbon products 2D metal dichlorides Cl vacancy DFT computations
资助者	International Partnership Program of the Chinese Academy of Sciences ; Natural Science Funds for Distin-guished Young Scholars of Heilongjiang Province
DOI	10.1016/j.jmst.2024.09.032
收录类别	SCI
语种	英语
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
WOS类目	Materials Science, Multidisciplinary ; Metallurgy & Metallurgical Engineering
WOS记录号	WOS:001400392000001
出版者	ELSEVIER
引用统计
文献类型	期刊论文
条目标识符	http://ir.imr.ac.cn/handle/321006/180238
专题	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.