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Tension-Enhanced Hydrogen Evolution Reaction on Vanadium Disulfide Monolayer
Hui Pan
Source PublicationNanoscale Research Letters

Water electrolysis is an efficient way for hydrogen production. Finding efficient, cheap, and eco-friendly electrocatalysts is essential to the development of this technology. In the work, we present a first-principles study on the effects of tension on the hydrogen evolution reaction of a novel electrocatalyst, vanadium disulfide (VS2) monolayer. Two electrocatalytic processes, individual and collective processes, are investigated. We show that the catalytic ability of VS2 monolayer at higher hydrogen coverage can be efficiently improved by escalating tension. We find that the individual process is easier to occur in a wide range of hydrogen coverage and the collective process is possible at a certain hydrogen coverage under the same tension. The best hydrogen evolution reaction with near-zero Gibbs free energy can be achieved by tuning tension. We further show that the change of catalytic activity with tension and hydrogen coverage is induced by the change of free carrier density around the Fermi level, that is, higher carrier density, better catalytic performance. It is expected that tension can be a simple way to improve the catalytic activity, leading to the design of novel electrocatalysts for efficient hydrogen production from water electrolysis.

KeywordFirst-principles Calculation Hydrogen Evolution Reduction Tension Vs2 Monolayer Water Electrolysis
URLView the original
Indexed BySCIE
WOS Research AreaScience & Technology - Other Topics ; Physics ; Materials Science
WOS SubjectNanoscience & Nanotechnology ; Materials Science, Multidisciplinary ; Physics, Applied
WOS IDWOS:000371411700004
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Cited Times [WOS]:31   [WOS Record]     [Related Records in WOS]
Document TypeJournal article
CollectionUniversity of Macau
AffiliationInstitute of Applied Physics and Materials Engineering, Faculty of Science and Technology, University of Macau, Macao SAR, China
First Author AffilicationFaculty of Science and Technology
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GB/T 7714
Hui Pan. Tension-Enhanced Hydrogen Evolution Reaction on Vanadium Disulfide Monolayer[J]. Nanoscale Research Letters,2016,11(1):1-6.
APA Hui Pan.(2016).Tension-Enhanced Hydrogen Evolution Reaction on Vanadium Disulfide Monolayer.Nanoscale Research Letters,11(1),1-6.
MLA Hui Pan."Tension-Enhanced Hydrogen Evolution Reaction on Vanadium Disulfide Monolayer".Nanoscale Research Letters 11.1(2016):1-6.
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