UM  > 科技學院  > 機電工程系
Effect of Doping on Hydrogen Evolution Reaction of Vanadium Disulfide Monolayer
Yuanju Qu1,2,3; Hui Pan1; Chi Tat Kwok1,2; Zisheng Wang1,3
2015-12-10
Source PublicationNanoscale Research Letters
ISSN1931-7573
Volume10Issue:480
Abstract

As cheap and abundant materials, transitional metal dichalcogenide monolayers have attracted increasing interests for their application as catalysts in hydrogen production. In this work, the hydrogen evolution reduction of doped vanadium disulfide monolayers is investigated based on first-principles calculations. We find that the doping elements and concentration affect strongly the catalytic ability of the monolayer. We show that Ti-doping can efficiently reduce the Gibbs free energy of hydrogen adsorption in a wide range of hydrogen coverage. The catalytic ability of the monolayer at high hydrogen coverage can be improved by low Ti-density doping, while that at low hydrogen coverage is enhanced by moderate Ti-density doping. We further show that it is much easier to substitute the Ti atom to the V atom in the vanadium disulfide (VS2) monolayer than other transitional metal atoms considered here due to its lowest and negative formation energy. It is expected that the Ti-doped VS2 monolayer may be applicable in water electrolysis with improved efficiency. 

KeywordDoping First-principles Calculation Hydrogen Evolution Reduction Hydrogen Production Vs2 Monolayers
DOIhttps://doi.org/10.1186/s11671-015-1182-y
URLView the original
Indexed BySCI
Language英语
WOS Research AreaScience & Technology - Other Topics ; Materials Science ; Physics
WOS SubjectNanoscience & Nanotechnology ; Materials Science, Multidisciplinary ; Physics, Applied
WOS IDWOS:000366347600004
PublisherSPRINGER, 233 SPRING ST, NEW YORK, NY 10013 USA
The Source to ArticleScopus
Fulltext Access
Citation statistics
Cited Times [WOS]:20   [WOS Record]     [Related Records in WOS]
Document TypeJournal article
CollectionDEPARTMENT OF ELECTROMECHANICAL ENGINEERING
Institute of Applied Physics and Materials Engineering
Corresponding AuthorHui Pan
Affiliation1.Institute of Applied Physics and Materials Engineering, Faculty of Science and Technology, University of Macau, Macao, SAR, People’s Republic of China.
2.Department of Electromechanical Engineering, Faculty of Science and Technology, University of Macau, Macao, SAR, People’s Republic of China.
3.College of Physics and Communication Electronics, Jiangxi Normal University, Nanchang 330022, People’s Republic of China.
First Author AffilicationFaculty of Science and Technology
Corresponding Author AffilicationFaculty of Science and Technology
Recommended Citation
GB/T 7714
Yuanju Qu,Hui Pan,Chi Tat Kwok,et al. Effect of Doping on Hydrogen Evolution Reaction of Vanadium Disulfide Monolayer[J]. Nanoscale Research Letters,2015,10(480).
APA Yuanju Qu,Hui Pan,Chi Tat Kwok,&Zisheng Wang.(2015).Effect of Doping on Hydrogen Evolution Reaction of Vanadium Disulfide Monolayer.Nanoscale Research Letters,10(480).
MLA Yuanju Qu,et al."Effect of Doping on Hydrogen Evolution Reaction of Vanadium Disulfide Monolayer".Nanoscale Research Letters 10.480(2015).
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.