UM  > INSTITUTE OF APPLIED PHYSICS AND MATERIALS ENGINEERING
Residential Collegefalse
Status已發表Published
A first-principles study on the hydrogen evolution reaction of VS2 nanoribbons
Yuanju Qu1,2,3; Hui Pan1; Chi Tat Kwok1,2; Zisheng Wang1,3
2015-10-14
Source PublicationPCCP (Physical chemistry chemical physics)
ISSN1463-9076
Volume17Issue:38Pages:24820-24825
Abstract

Nanostructures have attracted increasing interest for applications in electrolysis of water as electrocatalysts. In this work, the edge-catalytic effects of one dimensional (1D) VS2 nanoribbons with various edge configurations and widths have been investigated based on first-principles calculations. We show that the catalytic ability of VS2 nanoribbons strongly depends on their edge structure, edge configuration, and width. We find that the S-edges of VS2 nanoribbons are more active in electrolysis of water than V-edges due to their optimal Gibbs free energy for hydrogen evolution reaction in a wider range of hydrogen coverages. We also find that narrow nanoribbons show better catalytic performance than their wide counterparts. We further show that the S-edge of narrow VS2 nanoribbons with their V-edge covered by eight sulfur atoms has near-zero Gibbs free energy of hydrogen adsorption and comparable catalytic performance with Pt to a wide range of hydrogen coverage, which is contributed to its metallic characteristic. We expect that VS2 nanoribbons would be a promising 1D catalyst in electrolysis of water because of their impressive catalytic abilities both on the basal planes and edges. 

DOI10.1039/c5cp04118j
URLView the original
Indexed BySCIE
Language英語English
WOS Research AreaChemistry ; Physics
WOS SubjectChemistry, Physical ; Physics, Atomic, Molecular & Chemical
WOS IDWOS:000361697400028
PublisherROYAL SOC CHEMISTRY, THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND
The Source to ArticleScopus
Scopus ID2-s2.0-84942426430
Fulltext Access
Citation statistics
Document TypeJournal article
CollectionINSTITUTE OF APPLIED PHYSICS AND MATERIALS ENGINEERING
DEPARTMENT OF ELECTROMECHANICAL ENGINEERING
Corresponding AuthorHui Pan
Affiliation1.Institute of Applied Physics and Materials Engineering, Faculty of Science and Technology, University of Macau, Macao SAR, P. R. China
2.Department of Electromechanical Engineering, Faculty of Science and Technology, University of Macau, Macao SAR, P. R. China
3.College of Physics and Communication Electronics, Jiangxi Normal University, Nanchang 330022, P. R. China
First Author AffilicationINSTITUTE OF APPLIED PHYSICS AND MATERIALS ENGINEERING;  Faculty of Science and Technology
Corresponding Author AffilicationINSTITUTE OF APPLIED PHYSICS AND MATERIALS ENGINEERING
Recommended Citation
GB/T 7714
Yuanju Qu,Hui Pan,Chi Tat Kwok,et al. A first-principles study on the hydrogen evolution reaction of VS2 nanoribbons[J]. PCCP (Physical chemistry chemical physics), 2015, 17(38), 24820-24825.
APA Yuanju Qu., Hui Pan., Chi Tat Kwok., & Zisheng Wang (2015). A first-principles study on the hydrogen evolution reaction of VS2 nanoribbons. PCCP (Physical chemistry chemical physics), 17(38), 24820-24825.
MLA Yuanju Qu,et al."A first-principles study on the hydrogen evolution reaction of VS2 nanoribbons".PCCP (Physical chemistry chemical physics) 17.38(2015):24820-24825.
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
[Yuanju Qu]'s Articles
[Hui Pan]'s Articles
[Chi Tat Kwok]'s Articles
Baidu academic
Similar articles in Baidu academic
[Yuanju Qu]'s Articles
[Hui Pan]'s Articles
[Chi Tat Kwok]'s Articles
Bing Scholar
Similar articles in Bing Scholar
[Yuanju Qu]'s Articles
[Hui Pan]'s Articles
[Chi Tat Kwok]'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.