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Showing 2011 · cond-mat.mtrl-sciShow all
2 papers · 2 filters
cond-mat.mtrl-sci2011★ 52 cited
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…
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…