Issue 71, 2015
From the journal:

Chemical Communications

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

Gopalakrishnan Sai Gautam, ORCID logo a   Pieremanuele Canepa,a   Rahul Malik,a   Miao Liu,b   Kristin Perssonb  and  Gerbrand Ceder*cd  

* Corresponding authors

a Department of Materials Science and Engineering, Massachusetts Institute of Technology, Cambridge, MA 02139, USA

b Environmental Energy Technologies Division, Lawrence Berkeley National Laboratory, CA 94720, USA

c Materials Science Division, Lawrence Berkeley National Laboratory, CA 94720, USA
E-mail: gceder@lbl.gov, gceder@berkeley.edu

d Department of Materials Science and Engineering, University of California Berkeley, CA 94720, USA

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 α and δ polymorphs.

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

About
Cited by
Related
Download options Please wait...

Supplementary files

Article information

DOI
https://doi.org/10.1039/C5CC04947D
Article type
Communication
Submitted
15 Jun 2015
Accepted
22 Jul 2015
First published
22 Jul 2015
This article is Open Access
Creative Commons BY license

Chem. Commun., 2015,51, 13619-13622

Author version available

Download author version (PDF)

Permissions

Request permissions

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

G. S. Gautam, P. Canepa, R. Malik, M. Liu, K. Persson and G. Ceder, Chem. Commun., 2015, 51, 13619 DOI: 10.1039/C5CC04947D

This article is licensed under a Creative Commons Attribution 3.0 Unported Licence. You can use material from this article in other publications without requesting further permissions from the RSC, provided that the correct acknowledgement is given.

Read more about how to correctly acknowledge RSC content.

Social activity

Spotlight

Advertisements