Residential College | false |
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 Publication | PCCP (Physical chemistry chemical physics) |
ISSN | 1463-9076 |
Volume | 17Issue: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. |
DOI | 10.1039/c5cp04118j |
URL | View the original |
Indexed By | SCIE |
Language | 英語English |
WOS Research Area | Chemistry ; Physics |
WOS Subject | Chemistry, Physical ; Physics, Atomic, Molecular & Chemical |
WOS ID | WOS:000361697400028 |
Publisher | ROYAL SOC CHEMISTRY, THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND |
The Source to Article | Scopus |
Scopus ID | 2-s2.0-84942426430 |
Fulltext Access | |
Citation statistics | |
Document Type | Journal article |
Collection | INSTITUTE OF APPLIED PHYSICS AND MATERIALS ENGINEERING DEPARTMENT OF ELECTROMECHANICAL ENGINEERING |
Corresponding Author | Hui Pan |
Affiliation | 1.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 Affilication | INSTITUTE OF APPLIED PHYSICS AND MATERIALS ENGINEERING; Faculty of Science and Technology |
Corresponding Author Affilication | INSTITUTE 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. |
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