Journal article
Structure Solution of Metal-Oxide Li Battery Cathodes from Simulated Annealing and Lithium NMR Spectroscopy
Abstract
Discerning the arrangement of transition metal atoms in Li[Ni x Mn y Co z ]O2 cathode materials has remained an open problem for many years despite the commercial importance of some stoichiometries and the even more promising characteristics of others. We present a method for structural determination in this class of cathode materials. A simple definition of the total energy, based on the chemical principle of electroneutrality, is used in …
Authors
Harris KJ; Foster JM; Tessaro MZ; Jiang M; Yang X; Wu Y; Protas B; Goward GR
Journal
Chemistry of Materials, Vol. 29, No. 13, pp. 5550–5557
Publisher
American Chemical Society (ACS)
Publication Date
July 11, 2017
DOI
10.1021/acs.chemmater.7b00836
ISSN
0897-4756