332 citations · 865 across the 11 of their papers we have counts for
9 papers · 1 filter
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…
Spin coupling around a carbon atom vacancy in graphene
M. Casartelli, S. Casolo, G. F. Tantardini +1
We investigate the details of the electronic structure in the neighborhoods of a carbon atom vacancy in graphene by employing magnetization-constrained density-functional theory on…
Atomic-scale characterization of nitrogen-doped graphite: Effects of dopant nitrogen on the local electronic structure of the surrounding carbon atoms
Takahiro Kondo, Simone Casolo, Tetsuya Suzuki +8
We report the local atomic and electronic structure of a nitrogen-doped graphite surface by scanning tunnelling microscopy, scanning tunnelling spectroscopy, X-ray photoelectron sp…
Theoretical analysis of oxygen vacancies in layered sodium cobaltate Na_xCoO_{2-δ}
Simone Casolo, Ole Martin Løvvik, Harald Fjeld +1
Sodium cobaltate with high Na content is a promising thermoelectric material. It has recently been reported that oxygen vacancies can alter the material properties, reducing its fi…
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…