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• W2328448780 endingPage "1387" @default.
• W2328448780 startingPage "1381" @default.
• W2328448780 abstract "The hydrogen evolution reaction (HER) on supported MoS2 catalysts is investigated using periodic density functional theory, employing the new BEEF-vdW functional that explicitly takes long-range van der Waals (vdW) forces into account. We find that the support interactions involving vdW forces leads to significant changes in the hydrogen binding energy, resulting in several orders of magnitude difference in HER activity. It is generally seen for the Mo-edge that strong adhesion of the catalyst onto the support leads to weakening in the hydrogen binding. This presents a way to optimally tune the hydrogen binding on MoS2 and explains the lower than expected exchange current densities of supported MoS2 in electrochemical H2 evolution studies." @default.
• W2328448780 created "2016-06-24" @default.
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• W2328448780 date "2014-02-10" @default.
• W2328448780 modified "2023-10-02" @default.
• W2328448780 title "Tuning the MoS₂ Edge-Site Activity for Hydrogen Evolution via Support Interactions" @default.
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• W2328448780 doi "https://doi.org/10.1021/nl404444k" @default.
• W2328448780 hasPubMedId "https://pubmed.ncbi.nlm.nih.gov/24499163" @default.
• W2328448780 hasPublicationYear "2014" @default.
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