Charge disproportionation and Jahn-Teller distortion in LiNiO2 and NaNiO2: A density functional theory study

Chen, H.R., Freeman, C.L. and Harding, J.H. (2011) Charge disproportionation and Jahn-Teller distortion in LiNiO2 and NaNiO2: A density functional theory study. Physical Review B (PRB), 84 (8). Article number: 085108. ISSN 1098-0121

Abstract

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Authors/Creators:
  • Chen, H.R.
  • Freeman, C.L.
  • Harding, J.H. (j.harding@sheffield.ac.uk)
Copyright, Publisher and Additional Information: © 2011 American Physical Society. This is an author produced version of a paper subsequently published in Physical Review B. Uploaded in accordance with the publisher's self-archiving policy.
Keywords: Lithium nickel oxide battery cathode ab initio simulation
Dates:
  • Published: 19 August 2011
Institution: The University of Sheffield
Academic Units: The University of Sheffield > Faculty of Engineering (Sheffield) > Department of Materials Science and Engineering (Sheffield)
Depositing User: Professor John Harding
Date Deposited: 11 Jan 2013 15:04
Last Modified: 08 Feb 2013 17:41
Published Version: http://dx.doi.org/ 10.1103/PhysRevB.84.085108
Status: Published
Publisher: American Physical Society
Refereed: Yes
Identification Number: 10.1103/PhysRevB.84.085108

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