Ca extraction from post-spinel CaV2O4 is kinetically limited to at most half theoretical capacity at 298 K by high Ca migration barriers in the ordered γ phase and a persistent γ–δ two-phase region.
Improved tangent estimate in the nudged elastic band method for finding minimum energy paths and saddle points.The Journal of chemical physics, 113(22):9978– 9985, 2000
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Phase stability and ionic transport in post-spinel CaV$_2$O$_4$ cathode
Ca extraction from post-spinel CaV2O4 is kinetically limited to at most half theoretical capacity at 298 K by high Ca migration barriers in the ordered γ phase and a persistent γ–δ two-phase region.