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Published in 2017 at "Journal of Physical Chemistry C"
DOI: 10.1021/acs.jpcc.7b06361
Abstract: The adsorption of H2 on the Cu2O(111) surface has been studied by spin-polarized density functional theory (DFT+U) calculations and atomic thermodynamics. It has been found that there exists reconstruction on a stoichiometric Cu2O(111) surface. The…
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Keywords:
adsorption;
reconstructed cu2o;
surface;
coverage ... See more keywords
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Published in 2021 at "Journal of the American Chemical Society"
DOI: 10.1021/jacs.1c08063
Abstract: Because of the abundance of natural gas in our planet, a major goal is to achieve a direct methane-to-methanol conversion at medium to low temperatures using mixtures of methane and oxygen. Here, we report an…
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Keywords:
methanol;
conversion;
methane;
zno cu2o ... See more keywords