2 papers
cond-mat.mes-hall2011★ 45 cited
Bromination of Graphene and Graphite
A. Yaya, C. P. Ewels, I. Suarez-Martinez +5
We present a density functional theory study of low density bromination of graphene and graphite, finding significantly different behaviour in these two materials. On graphene we f…
cond-mat.mtrl-sci2011★ 8 cited
Behavior of hydrogen ions, atoms, and molecules in alpha-boron studied using density functional calculations
Philipp Wagner, Christopher P. Ewels, Irene Suarez-Martinez +4
We examine the behaviour of hydrogen ions, atoms and molecules in alpha-boron using density functional calculations. Hydrogen behaves as a negative-U centre, with positive H ions p…