Journal
ANGEWANDTE CHEMIE-INTERNATIONAL EDITION
Volume 56, Issue 26, Pages 7610-7614Publisher
WILEY-V C H VERLAG GMBH
DOI: 10.1002/anie.201703066
Keywords
ab initio calculations; molybdenum disulfide; monolayers; phase transitions; photocatalysis
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Funding
- NSFC [51478171, 21373176, 21422305, 51378187]
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The metallic 1T- MoS2 has attracted considerable attention as an effective catalyst for hydrogen evolution reactions (HERs). However, the fundamental mechanism about the catalytic activity of 1T-MoS2 and the associated phase evolution remain elusive and controversial. Herein, we prepared the most stable 1T-MoS2 by hydrothermal exfoliation of MoS2 nanosheets vertically rooted into rigid one-dimensional TiO2 nanofibers. The 1T-MoS2 can keep highly stable over one year, presenting an ideal model system for investigating the HER catalytic activities as a function of the phase evolution. Both experimental studies and theoretical calculations suggest that 1T phase can be irreversibly transformed into a more active 1T' phase as true active sites in photocatalytic HERs, resulting in a catalytic site self-optimization. Hydrogen atom adsorption is the major driving force for this phase transition.
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