332 citations · 747 across the 20 of their papers we have counts for
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A Haldane-Anderson Hamiltonian Model for Hyperthermal Hydrogen Scattering from a Semiconductor Surface
Xuexun Lu, Nils Hertl, Sara Oregioni +5
Collisions of atoms and molecules with metal surfaces create electronic excitations in the metal, leading to nonadiabatic energy dissipation, inelastic scattering, and sticking. Mi…
Anomalous delocalization of resonant states in graphene \& the vacancy magnetic moment
Mirko Leccese, Rocco Martinazzo
Carbon atom vacancies in graphene give rise to a local magnetic moment of origin, whose magnitude is yet uncertain and debated. Partial quenching of magnetism has been ub…
Structure and stability of hydrogenated carbon atom vacancies in graphene
M. Casartelli, S. Casolo, G. F. Tantardini +1
Adsorption of hydrogen atoms to a carbon atom vacancy in graphene is investigated by means of periodic \emph{first principles} calculations, up to the fully hydrogenated state wher…
The effect of atomic-scale defects and dopants on graphene electronic structure
Rocco Martinazzo, Simone Casolo, Gian Franco Tantardini
Graphene, being one-atom thick, is extremely sensitive to the presence of adsorbed atoms and molecules and, more generally, to defects such as vacancies, holes and/or substitutiona…
Band engineering in graphene with superlattices of substitutional defects
Simone Casolo, Rocco Martinazzo, Gian Franco Tantardini
We investigate graphene superlattices of nitrogen and boron substitutional defects and by using symmetry arguments and electronic structure calculations we show how such superlatti…
Symmetry-induced gap opening in graphene superlattices
Rocco Martinazzo, Simone Casolo, Gian Franco Tantardini
We study nxn honeycomb superlattices of defects in graphene. The considered defects are missing p_z orbitals and can be realized by either introducing C atom vacancies or chemicall…
Understanding adsorption of hydrogen atoms on graphene
Simone Casolo, Ole Martin Lovvik, Rocco Martinazzo +1
Adsorption of hydrogen atoms on a single graphite sheet (graphene) has been investigated by first-principles electronic structure means, employing plane-wave based, periodic densit…