66 citations · 338 across the 8 of their papers we have counts for
8 papers
Stable hydrogenated graphene edge types: Normal and reconstructed Klein edges
Philipp Wagner, Viktoria V. Ivanovskaya, Manuel Melle-Franco +4
Hydrogenated graphene edges are assumed to be either armchair, zigzag or a combination of the two. We show that the zigzag is not the most stable fully hydrogenated structure along…
Mechanical properties of nanosheets and nanotubes investigated using a new geometry independent volume definition
Philipp Wagner, Viktoria V. Ivanovskaya, Mark J. Rayson +2
Cross-sectional area and volume become difficult to define as material dimensions approach the atomic scale. This limits the transferability of macroscopic concepts such as Young's…
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.…
A comparative study of density functional and density functional tight binding calculations of defects in graphene
Alberto Zobelli, Viktoria V. Ivanovskaya, Philipp Wagner +3
The density functional tight binding approach (DFTB) is well adapted for the study of point and line defects in graphene based systems. After briefly reviewing the use of DFTB in t…
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…
Ripple edge engineering of graphene nanoribbons
Philipp Wagner, Christopher P. Ewels, Viktoria V. Ivanovskaya +3
It is now possible to produce graphene nanoribbons (GNRs) with atomically defined widths. GNRs offer many opportunities for electronic devices and composites, if it is possible to…