Presentation Information
[Po015]Ab Initio Modelling of the Kinetic Barriers for Hydrogen Absorption on TiCr2 and TiMn2 Surfaces and the Effect of Surface Substitutions
Samuel Lines1, David Grant1, *Sanliang Ling1 (1. University of Nottingham (UK))
Keywords:
Laves phase,surfaces,hydrogen adsorption,density functional theory,substitution