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  4. Phonon-Ion Interactions: Designing Ion Mobility Based on Lattice Dynamics
 
review article

Phonon-Ion Interactions: Designing Ion Mobility Based on Lattice Dynamics

Muy, Sokseiha  
•
Schlem, Roman
•
Shao-Horn, Yang
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December 31, 2020
Advanced Energy Materials

This review is focused on the influence of lattice dynamics on the ionic mobility in superionic conductors in particular solid-state Li-ion conductors. After a succinct review of the static view of ionic conduction, the role of polarizability as the underlying cause of lattice softness is discussed in connection with the anharmonicity and the roles of lattice dynamics on ionic conductivity as proposed in early theories in the 70's and 80's by Mahan, Zeller, Rice and Roth are reviewed with the emphasis on various proposed correlations between Debye and Einstein frequency as well as other specific vibrational modes with the activation energy. The role of lattice dynamics on the correlation between the pre-exponential factor and activation energy, i.e. the Meyer-Neldel rule is also presented with emphasis on the entropy of migration and its dependence on the vibrational spectrum of the lattice. Moreover, a recent computational high-throughput screening based on the average vibrational frequency is also discussed to illustrate the application of lattice dynamics descriptors to design new lithium conductors. Finally, several open questions regarding the fundamental understanding of the role of lattice dynamics and new strategies to tune ionic conductivity based on these concepts are presented.

  • Details
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Type
review article
DOI
10.1002/aenm.202002787
Web of Science ID

WOS:000603661800001

Author(s)
Muy, Sokseiha  
Schlem, Roman
Shao-Horn, Yang
Zeier, Wolfgang G.
Date Issued

2020-12-31

Publisher

WILEY-V C H VERLAG GMBH

Published in
Advanced Energy Materials
Article Number

2002787

Subjects

Chemistry, Physical

•

Energy & Fuels

•

Materials Science, Multidisciplinary

•

Physics, Applied

•

Physics, Condensed Matter

•

Chemistry

•

Materials Science

•

Physics

•

activation energy

•

anharmonicity

•

lattice dynamics

•

li‐

•

ion conductors

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meyer–

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neldel

•

paddle-wheel mechanism

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meyer-neldel rule

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solid electrolytes

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superionic transition

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interface stability

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crystal-structure

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cation-transport

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bond strength

•

soft acids

•

li6ps5x x

Editorial or Peer reviewed

REVIEWED

Written at

EPFL

EPFL units
THEOS  
Available on Infoscience
January 19, 2021
Use this identifier to reference this record
https://infoscience.epfl.ch/handle/20.500.14299/174785
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