52 citations · 112 across the 8 of their papers we have counts for
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cond-mat.mtrl-sci2010★ 52 cited
Stacking and band structure of van der Waals bonded graphane multilayers
Jochen Rohrer, Per Hyldgaard
We use density functional theory and the van der Waals density functional (vdW-DF) method to determine the binding separation in bilayer and bulk graphane and study the changes in…
cond-mat.mtrl-sci2010★ 4 cited
Understanding adhesion at as-deposited interfaces from ab initio thermodynamics of deposition growth: thin-film alumina on titanium carbide
Jochen Rohrer, Per Hyldgaard
We investigate the chemical composition and adhesion of chemical vapour deposited thin-film alumina on TiC using and extending a recently proposed nonequilibrium method of ab initi…
cond-mat.mtrl-sci2010★ 14 cited
Ab-initio thermodynamics of deposition growth: surface terminations of CVD titanium carbide and nitride
Jochen Rohrer, Per Hyldgaard
We present a calculational method to predict terminations of growing or as-deposited surfaces as a function of the deposition conditions. Such characterizations are valuable for un…