activity
20092022
most citedA comparative study of density functional and density functional tight binding calculations of defects in graphene

64 citations · 193 across the 7 of their papers we have counts for

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Showing 2011Show all

2 papers · 1 filter

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…