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Published in 2019 at "Journal of Physics and Chemistry of Solids"
DOI: 10.1016/j.jpcs.2018.08.030
Abstract: Abstract In this paper, we investigate the adsorption of water monomer on fluorinated graphene using state-of-the-art first-principles methods within the framework of density functional theory (DFT). Four different types of methods are employed to describe…
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Keywords:
adsorption;
water;
adsorption water;
graphene adsorption ... See more keywords