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Highly anisotropic thermal transport in LiCoO2

DOI: 10.1021/acs.jpclett.9b02073 DOI Help

Authors: Hui Yang (Imperial College London; The Faraday Institution) , Jia-Yue Yang (Shandong University) , Christopher N. Savory (University College London; The Faraday Institution) , Jonathan M. Skelton (University of Bath) , Benjamin J. Morgan (University of Bath; The Faraday Institution) , David O. Scanlon (University College London; Diamond Light Source; The Faraday Institution) , Aron Walsh (Imperial College London; Yonsei University; The Faraday Institution)
Co-authored by industrial partner: No

Type: Journal Paper
Journal: The Journal Of Physical Chemistry Letters

State: Published (Approved)
Published: September 2019

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.

Journal Keywords: Thermal conductivity; Phonons; Colloids; Heat transfer; Batteries

Diamond Keywords: Batteries; Lithium-ion

Subject Areas: Chemistry, Energy, Materials

Technical Areas:

Added On: 09/09/2019 14:35

Discipline Tags:

Energy Storage Energy Physical Chemistry Energy Materials Chemistry Materials Science

Technical Tags: