First-principles study of the adsorption behaviors of Li atoms and LiF on the CF<sub>x</sub> (<i>x</i> = 1.0, 0.9, 0.8, 0.5, ∼0.0) surface
Rujing Fan, Biao Yang, Zhiwei Li, Dandan Ma, Wendong Yuan, Jianyi Ma, Haisheng Ren
Abstract
Based on first principles calculation, the adsorption properties of Li atoms and LiF molecules on the fluorographene (CF<sub>x</sub>) surface with different F/C ratio (<italic>x</italic> = 1.0, 0.9, 0.8, 0.5 and ∼0.0) have been studied in the present work.
Topics & Concepts
AdsorptionSurface (topology)CrystallographyMaterials scienceChemistryPhysical chemistryMathematicsGeometryAdvancements in Battery MaterialsGraphene research and applicationsGas Sensing Nanomaterials and Sensors