First-principles evaluation of Multi-valent cation insertion into Orthorhombic V$_2$O$_5$

A systematic first principles evaluation of the insertion behavior of multi-valent cations in orthorhombic V$_2$O$_5$ is performed. Layer spacing, voltage, phase stability, and ion mobility are computed for Li$^+$, Mg$^{2+}$, Zn$^{2+}$, Ca$^{2+}$, and Al$^{3+}$ intercalation in the $α$ and $δ$ polymorphs.

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