First-principles evaluation of multi-valent cation insertion into orthorhombic V2O5

Publication Type

Journal Article

Date Published

07/2015

Authors

DOI

Abstract

A systematic first-principles evaluation of the insertion behavior of multi-valent cations in orthorhombic V2O5 is performed. Layer spacing, voltage, phase stability, and ion mobility are computed for Li+ , Mg2+, Zn2+, Ca2+, and Al3+ intercalation in the a and d polymorphs.

Journal

Chemical Communications

Volume

51

Year of Publication

2015

Issue

71

ISSN

1359-7345

Organization