Adsorption and diffusion of F<sub>2</sub> molecules on pristine graphene

Adsorption and diffusion of F₂ molecules on pristine graphene

Yang Yong^{1, 2, †}, Liu Fu-Chi¹, Kawazoe Yoshiyuki^{3, 4}

(color online) (a) Schematic diagram of some top-site adsorption configurations (I to IV) of an F₂ molecule on graphene. Top and side view of (b) adsorption configuration V and (c) adsorption configuration I, where the transition is indicated by an arrow. For the clarity of illustration, only part of the (5 × 5) supercell is shown in Figs. 1(b) and 1(c).