Sfoglia per Soggetto "single crystal surface"
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Cation vacancy diffusion on the NiO(001) surface by molecular dynamics simulations
(1999)We present results concerning the cation vacancy diffusion mechanisms occurring on the NiO(001) surface along with their corresponding migration energies. Using a rigid ion potential and molecular dynamics simulations we ... -
Structure and dynamics of NiO(001) and Ni/NiO(001) surfaces by molecular dynamics simulation
(2000)Using molecular dynamics and a rigid ion potential, we studied the vibrational and structural properties of the NiO(001) surface with and without cationic adatoms. We found that the bulk phonon density of states (DOS) is ...