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20112020
most citedA comparative study of density functional and density functional tight binding calculations of defects in graphene

64 citations · 120 across the 3 of their papers we have counts for

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2 papers · 1 filter

cond-mat.mes-hall2012★ 11 cited

Graphene edge structures: Folding, scrolling, tubing, rippling and twisting

Viktoria V. Ivanovskaya, Philipp Wagner, Alberto Zobelli +3

Conventional three-dimensional crystal lattices are terminated by surfaces, which can demonstrate complex rebonding and rehybridisation, localised strain and dislocation formation.…

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…