Results were presented concerning the diffusion processes of O2- adatoms on the NiO(001) surface, obtained using molecular dynamics simulations based upon a rigid-ion potential model. A reduced-temperature range from 0.37 to 0.71 was covered. It was found that the energetically favoured adatom position was located in the hollow site of the Ni sub-lattice. From detailed analysis of the ionic trajectories, it was found that the adatom diffused via simple hopping and multiple exchange mechanisms. All of the processes exhibited an Arrhenius behaviour, from which were deduced the corresponding migration energies

Oxygen Adatom Diffusion on the NiO(001) Surface by Molecular Dynamics Simulation. Papageorgiou, D.G., Karakasidis, T., Evangelakis, G.A.: Physica B, 2002, 318[2-3], 211-6