332 citations · 865 across the 11 of their papers we have counts for
3 papers · 1 filter
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…
Few simple rules governing hydrogenation of graphene dots
Matteo Bonfanti, Simone Casolo, Gian Franco Tantardini +2
We investigated binding of hydrogen atoms to small Polycyclic Aromatic Hydrocarbons (PAHs) - i.e. graphene dots with hydrogen-terminated edges - using density functional theory and…
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…