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Πλοήγηση ανά Θέμα "ELECTRONIC-STRUCTURE"

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    • Cation adatom diffusion on the NiO(001) surface by molecular dynamics simulation 

      Karakasidis, T. E.; Papageorgiou, D. G.; Evangelakis, G. A. (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 

      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 ...

    • Oxygen adatom diffusion on the NiO(001) surface by molecular dynamics simulation 

      Papageorgiou, D. G.; Karakasidis, T.; Evangelakis, G. A. (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) ...