Issue 27, 2016

X-ray absorption near-edge structures of LiMn2O4 and LiNi0.5Mn1.5O4 spinel oxides for lithium-ion batteries: the first-principles calculation study

Abstract

Experimental Mn and Ni K-edge X-ray absorption near-edge structure (XANES) spectra were well reproduced for 5 V-class LixNi0.5Mn1.5O4 spinels as well as 4 V-class LixMn2O4 spinels using density functional theory. Local environmental changes around the Mn or Ni centres due to differences in the locations of Li ions and/or phase transitions in the spinel oxides were found to be very important contributors to the XANES shapes, in addition to the valence states of the metal ions.

Graphical abstract: X-ray absorption near-edge structures of LiMn2O4 and LiNi0.5Mn1.5O4 spinel oxides for lithium-ion batteries: the first-principles calculation study

Supplementary files

Article information

Article type
Communication
Submitted
15 Mar 2016
Accepted
08 Jun 2016
First published
08 Jun 2016

Phys. Chem. Chem. Phys., 2016,18, 17827-17830

X-ray absorption near-edge structures of LiMn2O4 and LiNi0.5Mn1.5O4 spinel oxides for lithium-ion batteries: the first-principles calculation study

T. Okumura, Y. Yamaguchi and H. Kobayashi, Phys. Chem. Chem. Phys., 2016, 18, 17827 DOI: 10.1039/C6CP01756H

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