Journal
CATALYSIS SCIENCE & TECHNOLOGY
Volume 3, Issue 9, Pages 2214-2220Publisher
ROYAL SOC CHEMISTRY
DOI: 10.1039/c3cy00207a
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Funding
- Swedish Energy Agency
- Stiffelsen J. Gust Richerts Minne (SWECO)
- National Science Foundation of China [11047013]
- Swedish Research Council (VR)
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The potential application of the single-layer MoS2 as a photocatalyst was revealed based on first-principles calculations. It is found that the pristine single-layer MoS2 is a good candidate for hydrogen production, and its catalysing ability can be tuned by the applied mechanical strain. Furthermore, the p-type doping could make the single layer a good photocatalyst for the overall water splitting.
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