Residential College | false |
Status | 已發表Published |
Hydrogenation-controlled phase transition on two-dimensional transition metal dichalcogenides and their unique physical and catalytic properties | |
YuanjuQu1,2; Hui Pan1; ChiTat Kwok1,2 | |
2016-09-30 | |
Source Publication | Scientific Reports |
ISSN | 2045-2322 |
Volume | 6 |
Abstract | Two-dimensional (2D) transition metal dichalcogenides (TMDs) have been widely used from nanodevices to energy harvesting/storage because of their tunable physical and chemical properties. In this work, we systematically investigate the effects of hydrogenation on the structural, electronic, magnetic, and catalytic properties of 33 TMDs based on first-principles calculations. We find that the stable phases of TMD monolayers can transit from 1T to 2H phase or vice versa upon the hydrogenation. We show that the hydrogenation can switch their magnetic and electronic states accompanying with the phase transition. The hydrogenation can tune the magnetic states of TMDs among non-, ferro, para-, and antiferro-magnetism and their electronic states among semiconductor, metal, and half-metal. We further show that, out of 33 TMD monolayers, 2H-TiS2 has impressive catalytic ability comparable to Pt in hydrogen evolution reaction in a wide range of hydrogen coverages. Our findings would shed the light on the multi-functional applications of TMDs. |
DOI | 10.1038/srep34186 |
URL | View the original |
Indexed By | SCIE |
Language | 英語English |
WOS Research Area | Science & Technology - Other Topics |
WOS Subject | Multidisciplinary Sciences |
WOS ID | WOS:000384341900001 |
Publisher | NATURE PUBLISHING GROUP, MACMILLAN BUILDING, 4 CRINAN ST, LONDON N1 9XW, ENGLAND |
Scopus ID | 2-s2.0-84989834393 |
Fulltext Access | |
Citation statistics | |
Document Type | Journal article |
Collection | INSTITUTE OF APPLIED PHYSICS AND MATERIALS ENGINEERING DEPARTMENT OF ELECTROMECHANICAL ENGINEERING |
Corresponding Author | Hui Pan |
Affiliation | 1.Institute of Applied Physics and Materials Engineering, Faculty of Science and Technology, University of Macau, Macao SAR, P. R. China. 2.Department of Electromechanical Engineering, Faculty of Science and Technology, University of Macau, Macao SAR, P. R. China. Correspondence and requests for materials should be addressed to H.P. |
First Author Affilication | INSTITUTE OF APPLIED PHYSICS AND MATERIALS ENGINEERING; Faculty of Science and Technology |
Corresponding Author Affilication | INSTITUTE OF APPLIED PHYSICS AND MATERIALS ENGINEERING |
Recommended Citation GB/T 7714 | YuanjuQu,Hui Pan,ChiTat Kwok. Hydrogenation-controlled phase transition on two-dimensional transition metal dichalcogenides and their unique physical and catalytic properties[J]. Scientific Reports, 2016, 6. |
APA | YuanjuQu., Hui Pan., & ChiTat Kwok (2016). Hydrogenation-controlled phase transition on two-dimensional transition metal dichalcogenides and their unique physical and catalytic properties. Scientific Reports, 6. |
MLA | YuanjuQu,et al."Hydrogenation-controlled phase transition on two-dimensional transition metal dichalcogenides and their unique physical and catalytic properties".Scientific Reports 6(2016). |
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