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

AKTÜRK O. Ü., TOMAK M.

APPLIED SURFACE SCIENCE, cilt.258, sa.2, ss.800-805, 2011 (SCI-Expanded) identifier identifier

  • Yayın Türü: Makale / Tam Makale
  • Cilt numarası: 258 Sayı: 2
  • Basım Tarihi: 2011
  • Doi Numarası: 10.1016/j.apsusc.2011.08.099
  • Dergi Adı: APPLIED SURFACE SCIENCE
  • Derginin Tarandığı İndeksler: Science Citation Index Expanded (SCI-EXPANDED), Scopus
  • Sayfa Sayıları: ss.800-805
  • Anahtar Kelimeler: First Principle, Adsorption on graphene, Antimony, GRAPHITE, CARBON
  • Orta Doğu Teknik Üniversitesi Adresli: Evet

Özet

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.