Journal
CHEMICAL COMMUNICATIONS
Volume 54, Issue 18, Pages 2284-2287Publisher
ROYAL SOC CHEMISTRY
DOI: 10.1039/c7cc08713f
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Funding
- National Natural Science Foundation of China [21401064, 21473167, 21573201]
- China Postdoctoral Science Foundation [2015M580537]
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Employing first principles calculations, we show a two-step reaction mechanism for direct methane oxidation to methanol over a single atom Co-embedded graphene (Gr) catalyst, with N2O as the O-donor molecule. C-H activation is the rate-limiting step. The high reaction activity and selectivity under mild conditions were predicted for this catalyst.
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