Lithium and antimony adsorbed on graphene studied by first-principles calculations

AKTÜRK O. Ü., TOMAK M.

APPLIED SURFACE SCIENCE, vol.258, no.2, pp.800-805, 2011 (SCI-Expanded) identifier identifier

  • Publication Type: Article / Article
  • Volume: 258 Issue: 2
  • Publication Date: 2011
  • Doi Number: 10.1016/j.apsusc.2011.08.099
  • Journal Name: APPLIED SURFACE SCIENCE
  • Journal Indexes: Science Citation Index Expanded (SCI-EXPANDED), Scopus
  • Page Numbers: pp.800-805
  • Keywords: First Principle, Adsorption on graphene, Antimony, GRAPHITE, CARBON
  • Middle East Technical University Affiliated: Yes

Abstract

We have investigated the Sb and Sb-2 doping of graphene and the effect of Li-n (n=2-4) atoms in detail. We find chemisorption only when we replace C with Sb and Sb-2 and distort the lattice. The additional adsorption of Li atoms changes the electronic band structure of the system. (C) 2011 Elsevier B.V. All rights reserved.