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Tension-Enhanced Hydrogen Evolution Reaction on Vanadium Disulfide Monolayer

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 ele...

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Autor principal: Pan, Hui
Formato: Online Artículo Texto
Lenguaje:English
Publicado: Springer US 2016
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4771684/
https://www.ncbi.nlm.nih.gov/pubmed/26924817
http://dx.doi.org/10.1186/s11671-016-1329-5
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author Pan, Hui
author_facet Pan, Hui
author_sort Pan, Hui
collection PubMed
description 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 (VS(2)) monolayer. Two electrocatalytic processes, individual and collective processes, are investigated. We show that the catalytic ability of VS(2) 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.
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spelling pubmed-47716842016-03-29 Tension-Enhanced Hydrogen Evolution Reaction on Vanadium Disulfide Monolayer Pan, Hui Nanoscale Res Lett Nano Express 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 (VS(2)) monolayer. Two electrocatalytic processes, individual and collective processes, are investigated. We show that the catalytic ability of VS(2) 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. Springer US 2016-02-29 /pmc/articles/PMC4771684/ /pubmed/26924817 http://dx.doi.org/10.1186/s11671-016-1329-5 Text en © Pan. 2016 Open AccessThis article is distributed under the terms of the Creative Commons Attribution 4.0 International License (http://creativecommons.org/licenses/by/4.0/), which permits unrestricted use, distribution, and reproduction in any medium, provided you give appropriate credit to the original author(s) and the source, provide a link to the Creative Commons license, and indicate if changes were made.
spellingShingle Nano Express
Pan, Hui
Tension-Enhanced Hydrogen Evolution Reaction on Vanadium Disulfide Monolayer
title Tension-Enhanced Hydrogen Evolution Reaction on Vanadium Disulfide Monolayer
title_full Tension-Enhanced Hydrogen Evolution Reaction on Vanadium Disulfide Monolayer
title_fullStr Tension-Enhanced Hydrogen Evolution Reaction on Vanadium Disulfide Monolayer
title_full_unstemmed Tension-Enhanced Hydrogen Evolution Reaction on Vanadium Disulfide Monolayer
title_short Tension-Enhanced Hydrogen Evolution Reaction on Vanadium Disulfide Monolayer
title_sort tension-enhanced hydrogen evolution reaction on vanadium disulfide monolayer
topic Nano Express
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4771684/
https://www.ncbi.nlm.nih.gov/pubmed/26924817
http://dx.doi.org/10.1186/s11671-016-1329-5
work_keys_str_mv AT panhui tensionenhancedhydrogenevolutionreactiononvanadiumdisulfidemonolayer