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A mechanism study on the hydrogen evolution reaction catalyzed by molybdenum disulfide complexes

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Abstract

Density functional theory (DFT) calculations show that H2 evolution is attributed to active sulfur hydrides derived from MoS2 complexes via two- or three-electron reduction from the synthesized [(PY5Me2)MoS2]2+. Water acts as a bridge for H2 evolution from the intermolecular H+/H− coupling between sulfur hydride complexes and hydrated protons.

Graphical abstract: A mechanism study on the hydrogen evolution reaction catalyzed by molybdenum disulfide complexes

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Publication details

The article was received on 09 Nov 2017, accepted on 24 Dec 2017 and first published on 25 Dec 2017


Article type: Communication
DOI: 10.1039/C7CC08632F
Citation: Chem. Commun., 2018, Advance Article
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    A mechanism study on the hydrogen evolution reaction catalyzed by molybdenum disulfide complexes

    T. Yang, S. Ni, P. Qin and L. Dang, Chem. Commun., 2018, Advance Article , DOI: 10.1039/C7CC08632F

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