UM
Exploring new two-dimensional monolayers: pentagonal transition metal borides/carbides (penta-TMB/Cs)
Shao, Yangfan; Shao, Mengmeng; Kawazoe, Yoshiyuki; Shi, Xingqiang; Pan, Hui
2018-06-14
Source PublicationJOURNAL OF MATERIALS CHEMISTRY A
ISSN2050-7488
Volume6Issue:22Pages:10226-10232
AbstractThe development of two-dimensional (2D) materials with high conductivity and catalytic activity is important for the proposed hydrogen economy. Herein, we design a new family of 2D monolayers, pentagonal transition-metal borides/carbides (penta-TMBs and penta-TMCs), as electrocatalysts for the hydrogen evolution reaction (HER) on the basis of density functional theory (DFT). We find that all of the stable 2D penta-TMBs/TMCs are metallic, and 2D WB and HfC are ferromagnetic metals. We demonstrate that penta-TMBs and penta-TMCs show high catalytic performance for the HER. The Gibbs free energy for the adsorption of hydrogen atoms on catalyst surfaces (such as WB and ZrC) is dose to the ideal value of zero electron volt (eV). Our findings highlight a new family of promising noble metal-free HER catalysts and provide new insight into the design of advanced 2D materials.
DOI10.1039/c8ta00635k
URLView the original
Indexed BySCI
Language英语
WOS Research AreaChemistry ; Energy & Fuels ; Materials Science
WOS SubjectChemistry, Physical ; Energy & Fuels ; Materials Science, Multidisciplinary
WOS IDWOS:000437106300009
PublisherROYAL SOC CHEMISTRY
The Source to ArticleWOS
Fulltext Access
Citation statistics
Cited Times [WOS]:20   [WOS Record]     [Related Records in WOS]
Document TypeJournal article
CollectionUniversity of Macau
Recommended Citation
GB/T 7714
Shao, Yangfan,Shao, Mengmeng,Kawazoe, Yoshiyuki,et al. Exploring new two-dimensional monolayers: pentagonal transition metal borides/carbides (penta-TMB/Cs)[J]. JOURNAL OF MATERIALS CHEMISTRY A,2018,6(22):10226-10232.
APA Shao, Yangfan,Shao, Mengmeng,Kawazoe, Yoshiyuki,Shi, Xingqiang,&Pan, Hui.(2018).Exploring new two-dimensional monolayers: pentagonal transition metal borides/carbides (penta-TMB/Cs).JOURNAL OF MATERIALS CHEMISTRY A,6(22),10226-10232.
MLA Shao, Yangfan,et al."Exploring new two-dimensional monolayers: pentagonal transition metal borides/carbides (penta-TMB/Cs)".JOURNAL OF MATERIALS CHEMISTRY A 6.22(2018):10226-10232.
Related Services
Recommend this item
Bookmark
Usage statistics
Export to Endnote
Google Scholar
Similar articles in Google Scholar
[Shao, Yangfan]'s Articles
[Shao, Mengmeng]'s Articles
[Kawazoe, Yoshiyuki]'s Articles
Baidu academic
Similar articles in Baidu academic
[Shao, Yangfan]'s Articles
[Shao, Mengmeng]'s Articles
[Kawazoe, Yoshiyuki]'s Articles
Bing Scholar
Similar articles in Bing Scholar
[Shao, Yangfan]'s Articles
[Shao, Mengmeng]'s Articles
[Kawazoe, Yoshiyuki]'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.