GUO, J. X.; GUAN, L.; GENG, B.; LI, Q.; ZHAO, Q. X.; … - In: Surface Review and Letters (SRL) 16 (2009) 06, pp. 905-908
Diffusion of H atom in the Ti(0001) outer-layer and inter-layer surface is studied using density functional theory based on generalized gradient approximation (GGA). The energy barriers for the hydrogen atom diffusion in different interstitial sites at the same layers or between adjacent layers...