251 citations · 1.3k across the 14 of their papers we have counts for
Showing 2014Show all
2 papers · 1 filter
cond-mat.mtrl-sci2014
Density-Functional Theory and Tight-Binding Studies of the Geometry of Hydrogen Adsorbed on Graphynes
Hunpyo Lee, Jahyun Koo, Massimo Capone +2
Using density-functional theory and a tight-binding approach we investigate the physical origin of distinct favourable geometries of adsorbed hydrogen atoms in various graphyne str…
cond-mat.mtrl-sci2014★ 221 cited
Cohesion Energetics of Carbon Allotropes : Quantum Monte Carlo Study
Hyeondeok Shin, Sinabro Kang, Jahyun Koo +3
We have performed quantum Monte Carlo calculations to study the cohesion energetics of carbon allotropes, including -bonded diamond, -bonded graphene, - hybri…