Now showing items 1-2 of 2

    • Cation vacancy diffusion on the NiO(001) surface by molecular dynamics simulations 

      Karakasidis, T. E.; Evangelakis, G. A. (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 ...
    • Ni3+ adsorbate dynamics on a NiO(001) surface 

      Karakasidis, T. E.; Vamvakopoulos, E. (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 ...