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

2011-11-01
AKTÜRK, OLCAY ÜZENGİ
Tomak, Mehmet
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.