• 文献标题:   Curvature drastically changes diffusion properties of Li and Na on graphene
  • 文献类型:   Article
  • 作  者:   KOH YW, MANZHOS S
  • 作者关键词:  
  • 出版物名称:   MRS COMMUNICATIONS
  • ISSN:   2159-6859 EI 2159-6867
  • 通讯作者地址:   Natl Univ Singapore
  • 被引频次:   7
  • DOI:   10.1557/mrc.2013.24
  • 出版年:   2013

▎ 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.