Hydrogen diffusion in TiCr${}_2$H${}_x$ Laves phases: A combined ab initio and machine-learning-potential study

Pranav Kumar, Fritz Körmann, Kaveh Edalati +2

The kinetics of hydrogen diffusion in C15 cubic and C14 hexagonal TiCr${}_2$H${}_x$ (0 < $x$ <= 4) Laves-phase hydrogen storage alloys is investigated with density functional theory (D…