Fig. 4: Theoretical simulations of K storage and diffusion. | Nature Communications

Fig. 4: Theoretical simulations of K storage and diffusion.

From: Strain engineering of two-dimensional multilayered heterostructures for beyond-lithium-based rechargeable batteries

Fig. 4

Typical models of K atoms intercalated/adsorbed into/on (a) the (001) facet, (010) facet and (001) interlayer of bilayer VOPO4 and (b) the (001) facet, (010) facet and (001) interlayer of four-layer VOPO4. c Corresponding binding energies of the six models in a and b. Typical models of K atom diffusion path in the interlayer of (d) restacked VOPO4 and (e) VOPO4-graphene. f K diffusion energy profiles of restacked VOPO4 and VOPO4-graphene.

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