Jahn–Teller Distortions and Phase Transitions in LiNiO2: Insights from Ab Initio Molecular Dynamics and Variable-Temperature X-ray Diffraction

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Authors: Annalena R. Genreith-Schriever, Alexandra Alexiu, George S. Phillips, Chloe S. Coates, Liam A. V. Nagle-Cocco, Joshua D. Bocarsly, Farheen N. Sayed, Siân E. Dutton, and Clare P. Grey

Journal title: Chem. Mater.

Journal publisher: American Chemical Society

Published year: 2024

DOI identifier: 10.1021/acs.chemmater.3c02413

ISSN: 0897-4756