385 citations · 510 across the 3 of their papers we have counts for
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cond-mat.mtrl-sci2008★ 385 cited
Graphene: a perfect nanoballoon
O. Leenaerts, B. Partoens, F. M. Peeters
We have performed a first-principles density functional theory investigation of the penetration of helium atoms through a graphene monolayer with defects. The relaxation of the gra…
cond-mat.mtrl-sci2008★ 93 cited
Paramagnetic adsorbates on graphene: a charge transfer analysis
O. Leenaerts, B. Partoens, F. M. Peeters
We introduce a modified version of the Hirshfeld charge analysis method and demonstrate its accurateness by calculating the charge transfer between the paramagnetic molecule NO2 an…
cond-mat.mtrl-sci2007★ 1.7k cited
Adsorption of H2O, NH3, CO, NO2, and NO on graphene: A first-principles study
O. Leenaerts, B. Partoens, F. M. Peeters
Motivated by the recent realization of graphene sensors to detect individual gas molecules, we investigate the adsorption of H2O, NH3, CO, NO2, and NO on a graphene substrate using…