Highly Anisotropic Thermal Transport in LiCoO2

Hui Yang, Jia Yue Yang, Christopher N. Savory, Jonathan M. Skelton, Benjamin J. Morgan, David O. Scanlon, Aron Walsh

Research output: Contribution to journalArticle

Abstract

LiCoO2 is the prototypical cathode in lithium-ion batteries. Its crystal structure consists of Li+ and CoO2- layers that alternate along the hexagonal «0001»axis. It is well established that the ionic and electronic conduction are anisotropic, but little is known regarding the heat transport. We analyze the phonon dispersion and lifetimes using anharmonic lattice dynamics based on quantum-chemical force constants. Around room temperature, the thermal conductivity in the hexagonal ab plane of the layered cathode is ∼6 times higher than that along the c axis. An upper limit to the average thermal conductivity at T = 300 K of 38.5 W m-1 K-1 is set by short phonon lifetimes associated with anharmonic interactions within the octahedral face-sharing CoO2- network. Observations of conductivity <10 W m-1 K-1 can be understood by additional scattering channels including grain boundaries in polycrystalline samples. The impact on thermal processes in lithium-ion batteries is discussed.

Original languageEnglish
Pages (from-to)5552-5556
Number of pages5
JournalJournal of Physical Chemistry Letters
Volume10
Issue number18
DOIs
Publication statusPublished - 2019 Sep 19

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electric batteries
Thermal conductivity
Cathodes
thermal conductivity
lithium
cathodes
life (durability)
Lattice vibrations
ions
Grain boundaries
grain boundaries
Crystal structure
Scattering
conduction
heat
conductivity
crystal structure
room temperature
scattering
electronics

All Science Journal Classification (ASJC) codes

  • Materials Science(all)
  • Physical and Theoretical Chemistry

Cite this

Yang, H., Yang, J. Y., Savory, C. N., Skelton, J. M., Morgan, B. J., Scanlon, D. O., & Walsh, A. (2019). Highly Anisotropic Thermal Transport in LiCoO2 Journal of Physical Chemistry Letters, 10(18), 5552-5556. https://doi.org/10.1021/acs.jpclett.9b02073
Yang, Hui ; Yang, Jia Yue ; Savory, Christopher N. ; Skelton, Jonathan M. ; Morgan, Benjamin J. ; Scanlon, David O. ; Walsh, Aron. / Highly Anisotropic Thermal Transport in LiCoO2 In: Journal of Physical Chemistry Letters. 2019 ; Vol. 10, No. 18. pp. 5552-5556.
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Yang, H, Yang, JY, Savory, CN, Skelton, JM, Morgan, BJ, Scanlon, DO & Walsh, A 2019, 'Highly Anisotropic Thermal Transport in LiCoO2 ', Journal of Physical Chemistry Letters, vol. 10, no. 18, pp. 5552-5556. https://doi.org/10.1021/acs.jpclett.9b02073

Highly Anisotropic Thermal Transport in LiCoO2 . / Yang, Hui; Yang, Jia Yue; Savory, Christopher N.; Skelton, Jonathan M.; Morgan, Benjamin J.; Scanlon, David O.; Walsh, Aron.

In: Journal of Physical Chemistry Letters, Vol. 10, No. 18, 19.09.2019, p. 5552-5556.

Research output: Contribution to journalArticle

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Yang H, Yang JY, Savory CN, Skelton JM, Morgan BJ, Scanlon DO et al. Highly Anisotropic Thermal Transport in LiCoO2 Journal of Physical Chemistry Letters. 2019 Sep 19;10(18):5552-5556. https://doi.org/10.1021/acs.jpclett.9b02073