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

Gopalakrishnan Sai Gautam, Pieremanuele Canepa, Rahul Malik +3

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…