IMR OpenIR
Efficient electrochemical reduction of CO to C-2 products on the transition metal and boron co-doped black phosphorene
Kong, Lingyi1,2; Chen, Zhe3; Cai, Qinghai1,2,4; Yin, Lichang5,6; Zhao, Jingxiang1,2
Corresponding AuthorYin, Lichang(lcyin@imr.ac.cn) ; Zhao, Jingxiang(xjz_hmily@163.com)
2022-04-01
Source PublicationCHINESE CHEMICAL LETTERS
ISSN1001-8417
Volume33Issue:4Pages:2183-2187
AbstractThe synthesis of high-value multi-carbon products through the electrochemical reduction of carbon monoxide (COER) is one of the promising avenues for carbon utilization and energy storage, in which searching for efficient electrocatalysts that exhibit moderate CO intermediate binding strength and low kinetic barrier for C-C coupling is a key issue. Herein, by means of comprehensive density functional theory (DFT) computations, we theoretically designed three synergistic coupling catalysts by co-doping transition metal (TM = Fe, Co and Ni) and boron (B) into the two-dimensional black phosphorene (BP), namely TM-B@BP for COER to C-2 products. DFT computations and ab initio molecular dynamics simulations reveal the good stability and high feasibility of these proposed TM-B@BP catalysts for practical applications and future experimental synthesis. More interestingly, high-value ethylene (C2H4), ethane (C2H6) and ethanol (C2H5OH) products can be obtained on these three designed electrocatalysts with ultra-small limiting potentials (-0.20 similar to-0.41 V) and low kinetic energy barriers of C-C coupling (0.52 similar to 0.91 eV). Meanwhile, the competitive one-carbon (C-1) products and hydrogen evolution reaction can also be effectively suppressed. The promising activity and selectivity of these three designed electrocatalysts render them ideal candidates for CO electroreduction, thus providing a cost-effective opportunity to achieve a sustainable production of high value C-2 chemicals and fuels. (c) 2021 Published by Elsevier B.V. on behalf of Chinese Chemical Society and Institute of Materia Medica, Chinese Academy of Medical Sciences.
KeywordCO reduction Electrocatalysis Multi-carbon products Density functional theory 2D black phosphorene
DOI10.1016/j.cclet.2021.09.010
Indexed BySCI
Language英语
WOS Research AreaChemistry
WOS SubjectChemistry, Multidisciplinary
WOS IDWOS:000789375500089
PublisherELSEVIER SCIENCE INC
Citation statistics
Document Type期刊论文
Identifierhttp://ir.imr.ac.cn/handle/321006/173885
Collection中国科学院金属研究所
Corresponding AuthorYin, Lichang; Zhao, Jingxiang
Affiliation1.Harbin Normal Univ, Coll Chem & Chem Engn, Harbin 150025, Peoples R China
2.Harbin Normal Univ, Key Lab Photon & Elect Bandgap Mat, Minist Educ, Harbin 150025, Peoples R China
3.Westlake Univ, Ctr Artificial Photosynth Solar Fuels, Sch Sci, Hangzhou 310024, Peoples R China
4.Heilongjiang Prov Collaborat Innovat Ctr Cold Reg, Harbin 150025, Peoples R China
5.Chinese Acad Sci, Inst Met Res, Shenyang Natl Lab Mat Sci, Shenyang 110016, Peoples R China
6.Huaibei Normal Univ, Dept Phys & Elect Informat, Huaibei 235000, Peoples R China
Recommended Citation
GB/T 7714
Kong, Lingyi,Chen, Zhe,Cai, Qinghai,et al. Efficient electrochemical reduction of CO to C-2 products on the transition metal and boron co-doped black phosphorene[J]. CHINESE CHEMICAL LETTERS,2022,33(4):2183-2187.
APA Kong, Lingyi,Chen, Zhe,Cai, Qinghai,Yin, Lichang,&Zhao, Jingxiang.(2022).Efficient electrochemical reduction of CO to C-2 products on the transition metal and boron co-doped black phosphorene.CHINESE CHEMICAL LETTERS,33(4),2183-2187.
MLA Kong, Lingyi,et al."Efficient electrochemical reduction of CO to C-2 products on the transition metal and boron co-doped black phosphorene".CHINESE CHEMICAL LETTERS 33.4(2022):2183-2187.
Files in This Item:
There are no files associated with this item.
Related Services
Recommend this item
Bookmark
Usage statistics
Export to Endnote
Google Scholar
Similar articles in Google Scholar
[Kong, Lingyi]'s Articles
[Chen, Zhe]'s Articles
[Cai, Qinghai]'s Articles
Baidu academic
Similar articles in Baidu academic
[Kong, Lingyi]'s Articles
[Chen, Zhe]'s Articles
[Cai, Qinghai]'s Articles
Bing Scholar
Similar articles in Bing Scholar
[Kong, Lingyi]'s Articles
[Chen, Zhe]'s Articles
[Cai, Qinghai]'s Articles
Terms of Use
No data!
Social Bookmark/Share
All comments (0)
No comment.
 

Items in the repository are protected by copyright, with all rights reserved, unless otherwise indicated.