Density Functional Theory Calculations on Interface Structures and Ad- sorption Properties of Graphenes: A Review
نویسندگان
چکیده
This review covers interface properties and adsorption behaviors of graphene underlying density functional theory (DFT) simulations and their relevance in evaluation, developing and discovering new materials for gas sensors and hydrogen storage materials. It is intended to be of interest for both experimentalists and theorists to expand application
منابع مشابه
Theoretical computation of the quantum transport of zigzag mono-layer Graphenes with various z-direction widths
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