title: First-principles evaluation of multi-valent cation insertion into orthorhombic V2O5.
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(+), Mg(2+), Zn(2+), Ca(2+), and Al(3+) intercalation in the α and δ polymorphs.
authors.affiliation: Department of Materials Science and Engineering, Massachusetts Institute of Technology, Cambridge, MA 02139, USA.
authors.forename: Gopalakrishnan Sai
authors.initials: GS
authors.lastname: Gautam
authors.forename: Pieremanuele
authors.initials: P
authors.lastname: Canepa
authors.forename: Rahul
authors.initials: R
authors.lastname: Malik
authors.forename: Miao
authors.initials: M
authors.lastname: Liu
authors.forename: Kristin
authors.initials: K
authors.lastname: Persson
authors.forename: Gerbrand
authors.initials: G
authors.lastname: Ceder