Browsing School of Physics by Author "MOTTA, CARLO"
Now showing items 1-3 of 3
-
Charge carrier mobility in hybrid halide perovskites
SANVITO, STEFANO; MOTTA, CARLO (2015)The charge transport properties of hybrid halide perovskites are investigated with a combination of density functional theory including van der Waals interaction and the Boltzmann theory for diffusive transport in the ... -
Charge transfer energies of benzene physisorbed on a graphene sheet from constrained density functional theory
MOTTA, CARLO; SANVITO, STEFANO (2016)Constrained density functional theory (CDFT) is used to evaluate the energy level alignment of a benzene molecule as it approaches a graphene sheet. Within CDFT the problem is conveniently mapped onto evaluating total ... -
Revealing the role of organic cations in hybrid halide perovskite CH<inf>3</inf> NH<inf>3</inf>PbI<inf>3</inf>
SANVITO, STEFANO; MOTTA, CARLO (2015)