Jump to main content
Jump to site search
PLANNED MAINTENANCE Close the message box

Scheduled maintenance work on Wednesday 21st October 2020 from 07:00 AM to 07:00 PM (BST).

During this time our website performance may be temporarily affected. We apologise for any inconvenience this might cause and thank you for your patience.


Issue 10, 2016
Previous Article Next Article

Evaluation of sulfur spinel compounds for multivalent battery cathode applications

Author affiliations

Abstract

The rapid growth of portable consumer electronics and electric vehicles demands new battery technologies with greater energy stored at a reduced cost. Energy storage solutions based on multivalent metals, such as Mg, could significantly increase the energy density as compared to lithium-ion based technology. In this paper, we employ density functional theory calculations to systematically evaluate the performance, such as thermodynamic stability, ion diffusivity and voltage, of a group of 3d transition-metal sulfur-spinel compounds (21 in total) for multivalent cathode applications. Based on our calculations, Cr2S4, Ti2S4 and Mn2S4 spinel compounds exhibit improved Mg2+ mobility (diffusion activation energy <650 meV) relative to their oxide counterparts, however the improved mobility comes at the expense of lower voltage and thereby lower theoretical specific energy. Ca2+ intercalating into Cr2S4 spinel exhibits a low diffusion activation barrier of 500 meV and a voltage of ∼2 V, revealing a potential cathode for use in Ca rechargeable batteries.

Graphical abstract: Evaluation of sulfur spinel compounds for multivalent battery cathode applications

Back to tab navigation

Article information


Submitted
16 Jun 2016
Accepted
17 Aug 2016
First published
17 Aug 2016

Energy Environ. Sci., 2016,9, 3201-3209
Article type
Paper
Author version available

Evaluation of sulfur spinel compounds for multivalent battery cathode applications

M. Liu, A. Jain, Z. Rong, X. Qu, P. Canepa, R. Malik, G. Ceder and K. A. Persson, Energy Environ. Sci., 2016, 9, 3201
DOI: 10.1039/C6EE01731B

Social activity

Search articles by author

Spotlight

Advertisements