Site-specific catalytic activity in exfoliated MoS sub(2) single-layer polytypes for hydrogen evolution: basal plane and edges

We performed ab initiocalculations on the basic set of MoS sub(2) single-layer materials, namely the 1H, 1T and 1T' polytypes, to lay a theoretical framework on the emerging breakthrough-discoveries of high activity towards the hydrogen evolution reaction (HER) in exfoliated MoS sub(2) and rela...

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Veröffentlicht in:Journal of materials chemistry. A, Materials for energy and sustainability Materials for energy and sustainability, 2014-11, Vol.2 (48), p.20545-20551
Hauptverfasser: Fan, Xiao-Li, Yang, Yi, Xiao, Pin, Lau, Woon-Ming
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Sprache:eng
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