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And Yet It Moves: LiNiO2, a Dynamic Jahn–Teller System

Authors :
Markus Mock
Matteo Bianchini
Sabrina Sicolo
Karsten Albe
Source :
Chemistry of Materials. 32:10096-10103
Publication Year :
2020
Publisher :
American Chemical Society (ACS), 2020.

Abstract

The dynamics of Jahn–Teller distortions in LiNiO2 is revealed by ab initio molecular dynamics simulations combined with statistical analyses. Jahn–Teller distortions have been observed on a local s...

Subjects

Subjects :
Physics
General Chemical Engineering
Jahn–Teller effect
02 engineering and technology
General Chemistry
010402 general chemistry
021001 nanoscience & nanotechnology
01 natural sciences
Molecular physics
0104 chemical sciences
Ab initio molecular dynamics
Statistical analyses
Materials Chemistry
0210 nano-technology

Details

ISSN :
15205002 and 08974756
Volume :
32
Database :
OpenAIRE
Journal :
Chemistry of Materials
Accession number :
edsair.doi...........3925d943d91a787bb0aa1819abb3ec8e
Full Text :
https://doi.org/10.1021/acs.chemmater.0c03442
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