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Effect of Curvature on the Hydrogen Evolution Reaction of Graphene
Yuanju Qu1,2; Ye Ke2,3; Yangfan Shao2,4; Wenzhou Chen2; Chi Tat Kwok2,3; Xingqiang Shi4; Hui Pan2
2018-11-08
Source PublicationJOURNAL OF PHYSICAL CHEMISTRY C
ISSN1932-7447
Volume122Issue:44Pages:25331-25338
Abstract

Graphene has been widely studied as an electrocatalyst for hydrogen evolution reaction (HER). However, pure flat graphene is catalytically inert in HER. In this work, we investigate the effect of curvature on the improvement in the catalytic activity of pure and doped graphenes. We find that the HER performance can be dramatically improved on wavedgraphene due to localized chemical potential and Pt-analogous activity can be achieved at suitable compression. (1) For pure graphene, the calculated HER performance increases more than 50% as tuned by curvature due to reduced calculated Gibbs free energies. (2) For B- and N-doped graphene, their optimal HER catalytic ability occurs at low curvature conditions. (3) For metal-doped graphene, Mo-doped graphene exhibits excellent catalytic ability in HER at certain compressions. (4) For nitrogen-metal co-doped graphene, N-Ni and N-V co-doped graphenes can be tuned by curvature to show outstanding performance in HER with their exothermal formation energies. Our calculations demonstrate that the curvature plays a vital role in the improved HER activity of graphene and reveal the mechanism behind the improvement, which may provide guidance on the design of novel electrocatalysts for HER.

DOI10.1021/acs.jpcc.8b06750
URLView the original
Indexed BySCI
Language英语
WOS Research AreaChemistry ; Science & Technology - Other Topics ; Materials Science
WOS SubjectChemistry, Physical ; Nanoscience & Nanotechnology ; Materials Science, Multidisciplinary
WOS IDWOS:000449888600019
PublisherAMER CHEMICAL SOC
Fulltext Access
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Cited Times [WOS]:5   [WOS Record]     [Related Records in WOS]
Document TypeJournal article
CollectionDEPARTMENT OF ELECTROMECHANICAL ENGINEERING
INSTITUTE OF APPLIED PHYSICS AND MATERIALS ENGINEERING
Corresponding AuthorHui Pan
Affiliation1.School of Electronic and Information Engineering, Foshan University, Foshan 528000, P. R. China
2.Joint Key Laboratory of the Ministry of Education, Institute of Applied Physics and Materials Engineering
3.Department of Electromechanical Engineering, Faculty of Science and Technology, University of Macau, Macao SAR, 999078, P. R. China
4.Department of Physics, Southern University of Science and Technology, Shenzhen 518055, P. R. China
First Author AffilicationINSTITUTE OF APPLIED PHYSICS AND MATERIALS ENGINEERING
Corresponding Author AffilicationINSTITUTE OF APPLIED PHYSICS AND MATERIALS ENGINEERING
Recommended Citation
GB/T 7714
Yuanju Qu,Ye Ke,Yangfan Shao,et al. Effect of Curvature on the Hydrogen Evolution Reaction of Graphene[J]. JOURNAL OF PHYSICAL CHEMISTRY C,2018,122(44):25331-25338.
APA Yuanju Qu.,Ye Ke.,Yangfan Shao.,Wenzhou Chen.,Chi Tat Kwok.,...&Hui Pan.(2018).Effect of Curvature on the Hydrogen Evolution Reaction of Graphene.JOURNAL OF PHYSICAL CHEMISTRY C,122(44),25331-25338.
MLA Yuanju Qu,et al."Effect of Curvature on the Hydrogen Evolution Reaction of Graphene".JOURNAL OF PHYSICAL CHEMISTRY C 122.44(2018):25331-25338.
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