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cond-mat.mtrl-sci2018
Adsorption and Diffusion of F2 molecules on Pristine Graphene
Yong Yang, Fuchi Liu, Yoshiyuki Kawazoe
The adsorption and diffusion of F2 molecules on pristine graphene have been studied using first-principles calculations. For the diffusion of F2 from molecular state in gas phase t…
cond-mat.mtrl-sci2018
Adsorption of Water on Fluorinated Graphene
Yong Yang, Fuchi Liu, Yoshiyuki Kawazoe
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 the…