Shi, Wenwu, Wang, Zhiguo and Fu, Yong Qing (2017) Rhenium Doping Induced Structural Transformation in Mono-layered MoS2 with Improved Catalytic Activity for Hydrogen Evolution Reaction. Journal of Physics D: Applied Physics, 50 (40). p. 405303. ISSN 0022-3727
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Abstract
This paper reports a new design methodology to improve catalytic activities of catalysts based on two-dimensional transition metal dichalcogenides through elemental doping which induces structural transformations. Effects of rhenium (Re) doping on structural stability/phase transformation and catalytic activity of mono-layered trigonal prismatic (2H) MoS2 were investigated using density functional theory as one example. Results show that 2H-Mo1-xRexS2 transforms into 1T'-Mo1-xRexS2MoS2 as the value of x is larger than 0.4, and the transfer of the electron from Re to Mo is identified as the main reason for this structural transformation. The 1T'-Mo1-xRexS2 shows a good catalytic activity for the hydrogen evolution reaction when 0.75≤x≤0.94.
| Item Type: | Article |
|---|---|
| Uncontrolled Keywords: | Molybdenum disulfides, Structural transformation, Doping, Hydrogen evolution reaction, Density functional theory |
| Subjects: | F200 Materials Science |
| Department: | Faculties > Engineering and Environment > Mathematics, Physics and Electrical Engineering |
| Depositing User: | Becky Skoyles |
| Date Deposited: | 11 Aug 2017 08:47 |
| Last Modified: | 01 Aug 2021 09:37 |
| URI: | http://nrl.northumbria.ac.uk/id/eprint/31568 |
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