Browsing by Subject "ELECTRONIC-STRUCTURE"
Now showing items 1-3 of 3
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Cation adatom diffusion on the NiO(001) surface by molecular dynamics simulation
(2001)We present results concerning the diffusion of Ni2+ adatom on the (001) surface of NiO obtained by molecular dynamics simulations based on a rigid ion potential model. A wide temperature region was covered ranging from ... -
Ni3+ adsorbate dynamics on a NiO(001) surface
(2006)We present results concerning the dynamical behavior of a Ni3+ adsorbate on a NiO(001) surface obtained by molecular dynamics simulations. In a first place, we examined at low temperature the position of the Ni3+ ion as ... -
Oxygen adatom diffusion on the NiO(001) surface by molecular dynamics simulation
(2002)We present results concerning the diffusion processes of O2- adatom on the NiO(0 0 1) surface obtained by molecular dynamics simulations based on a rigid ion potential model. We covered a temperature region from 0.37T(m) ...