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Issue 6, 2016

Multi-spin-state at a Li3PO4/LiCoO2 (104) interface

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Abstract

We have found the disproportion between the intermediate spin (IS) and low spin (LS) configurations of Co atoms at a Li3PO4/LiCoO2 (104) interface through density functional molecular dynamics (DF-MD). The manifold of the spin state at the interface, however, does not affect the band alignment between the Li3PO4 and LiCoO2 regions.

Graphical abstract: Multi-spin-state at a Li3PO4/LiCoO2 (104) interface

Supplementary files

Article information


Submitted
15 Dec 2015
Accepted
19 Jan 2016
First published
19 Jan 2016

This article is Open Access

Phys. Chem. Chem. Phys., 2016,18, 4316-4319
Article type
Communication

Multi-spin-state at a Li3PO4/LiCoO2 (104) interface

M. Sumita and T. Ohno, Phys. Chem. Chem. Phys., 2016, 18, 4316 DOI: 10.1039/C5CP07735D

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.

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