Journal
CHEMICAL COMMUNICATIONS
Volume 54, Issue 9, Pages 1113-1116Publisher
ROYAL SOC CHEMISTRY
DOI: 10.1039/c7cc08632f
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Funding
- National Natural Science Foundation of China [21573102]
- Department of Education of Guangdong Province
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Density functional theory (DFT) calculations show that H-2 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 H-2 evolution from the intermolecular H+/H- coupling between sulfur hydride complexes and hydrated protons.
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