49 citations · 71 across the 2 of their papers we have counts for
2 papers
cond-mat.mtrl-sci2017★ 49 cited
Reduced work function of graphene by metal adatoms
Merid Legesse, Fedwa El Mellouhi, El Tayeb Bentria +4
In this paper, the work function of graphene doped by different metal adatoms and at different concentrations is investigated. Density functional theory is used to maximize the red…
physics.comp-ph2016★ 22 cited
Insights on finite size effects in Ab-initio study of CO adsorption and dissociation on Fe 110 surface
Aurab Chakrabarty, Othmane Bouhali, Normand Mousseau +2
Adsorption and dissociation of hydrocarbons on metallic surfaces represent crucial steps to carburization of metal. Here, we use density functional theory total energy calculations…