▎ 摘 要
We present a comparative ab initio study of surface diffusion of Li and Na on planar and curved graphene. The barrier for diffusion is -0.1 eV lower for Na than for Li, and is changed significantly by curvature. The maximum change is similar for Li for Na, of the order of +/- 0.1 eV on the convex and concave sides. The difference in barrier for metal atoms adsorbed on the concave and convex sides can reach 0.2 eV. This modulation of the diffusion barrier by curvature is therefore expected to affect significantly the rate capability of graphene-based anodes.