Fig. 3: Theoretical calculations for hydrogen diffusion.
From: Ion diffusion retarded by diverging chemical susceptibility
a, b Crystal structures of monoclinic (I-phase) and rutile (M-phase) VO2 viewed along the microbeam axis direction: [1,0,0] direction of monoclinic, and [0,0,1] direction of rutile VO2, respectively. c–e Calculated lowest-energy path and energy barriers for hydrogen diffusion along the [1,0,0]I-phase, [0,0,1]M-phase, and [1,1,0]M-phase directions, respectively.
