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Design of pentagonal NbX monolayers for electronics and electrocatalysis
Wenzhou Chen1; Ming Yang2; Yi-Yang Sun3; Yoshiyuki Kawazoe4,5; Xingqiang Shi6; Hui Pan1,7
Source PublicationApplied Surface Science

Two-dimensional (2D) materials with versatile properties are promising for diverse applications. In this work, a new family of 2D pentagonal NbX (penta-NbX, X = S, Se or Te) monolayers are designed to achieve the objectives. We demonstrate that these new materials are stable against mechanical strains, lattice dynamics and thermal fluctuations, because of the co-existence of ionic and covalent bonding between the Nb and X elements in these materials. We find that penta-NbX changes from metal to semiconductor as X changes from S/Se to Te. We show that penta-NbTe is a direct band-gap semiconductor with ultra-high carrier mobility (in the order of ~104 cm2 V−1 s−1), which is higher than or comparable to that of most 2D semiconductors and promising for ultra-fast electronics. We further show that metallic penta-NbS are catalytically active for hydrogen evolution reaction because of its low overpotential over a wide range of hydrogen coverages. We expect that the penta-NbX monolayers may find applications in electronics and electrocatalysis.

KeywordElectronics First-principles Calculations Hydrogen Evolution Reaction Two-dimensional Materials
URLView the original
Indexed BySCIE
WOS Research AreaChemistry ; Materials Science ; Physics
WOS SubjectChemistry, Physical ; Materials Science, Coatings & Films ; Physics, Applied ; Physics, Condensed Matter
WOS IDWOS:000464931800073
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Cited Times [WOS]:9   [WOS Record]     [Related Records in WOS]
Document TypeJournal article
CollectionUniversity of Macau
Corresponding AuthorXingqiang Shi; Hui Pan
Affiliation1.Joint Key Laboratory of the Ministry of Education, Institute of Applied Physics and Materials Engineering, University of Macau, Macao
2.Institute of Materials Research and Engineering, Agency for Science, Technology and Research (A*STAR), 2 Fusionopolis Way, 138634, Singapore
3.State Key Laboratory of High Performance Ceramics and Superfine Microstructure, Shanghai Institute of Ceramics, Chinese Academy of Sciences, Shanghai 201899,China
4.New Industry Creation Hatchery Center, Tohoku University, Sendai, Japan
5.Department of Physics and Nanotechnology, SRM Institute of Science and Technology, Kattankulathur 603203, Tamil Nadu, India
6.Department of Physics, Southern University of Science and Technology, Shenzhen 518055, China
7.Department of Physics and Chemistry, Faculty of Science and Technology, University of Macau, Macao
Corresponding Author AffilicationINSTITUTE OF APPLIED PHYSICS AND MATERIALS ENGINEERING;  Faculty of Science and Technology
Recommended Citation
GB/T 7714
Wenzhou Chen,Ming Yang,Yi-Yang Sun,et al. Design of pentagonal NbX monolayers for electronics and electrocatalysis[J]. Applied Surface Science,2019,479:595-600.
APA Wenzhou Chen,Ming Yang,Yi-Yang Sun,Yoshiyuki Kawazoe,Xingqiang Shi,&Hui Pan.(2019).Design of pentagonal NbX monolayers for electronics and electrocatalysis.Applied Surface Science,479,595-600.
MLA Wenzhou Chen,et al."Design of pentagonal NbX monolayers for electronics and electrocatalysis".Applied Surface Science 479(2019):595-600.
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