52 citations · 105 across the 3 of their papers we have counts for
3 papers
Low energy graphene edge termination via small diameter nanotube formation
Viktoria V. Ivanovskaya, Alberto Zobelli, Philipp Wagner +4
We demonstrate that free graphene sheet edges can curl back on themselves,reconstructing as nanotubes. This results in lower formation energies than any other non-functionalised ed…
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…
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…