Yang, H;
Yang, J-Y;
Savory, CN;
Skelton, JM;
Morgan, BJ;
Scanlon, DO;
Walsh, A;
(2019)
Highly Anisotropic Thermal Transport in LiCoO₂.
The Journal of Physical Chemistry Letters
, 10
(18)
pp. 5552-5556.
10.1021/acs.jpclett.9b02073.
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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.
| Type: | Article |
|---|---|
| Title: | Highly Anisotropic Thermal Transport in LiCoO₂ |
| Location: | United States |
| Open access status: | An open access version is available from UCL Discovery |
| DOI: | 10.1021/acs.jpclett.9b02073 |
| Publisher version: | https://doi.org/10.1021/acs.jpclett.9b02073 |
| Language: | English |
| Additional information: | This version is the author accepted manuscript. For information on re-use, please refer to the publisher’s terms and conditions. |
| Keywords: | Thermal conductivity, Phonons, Colloids, Heat transfer, Batteries |
| UCL classification: | UCL UCL > Provost and Vice Provost Offices > UCL BEAMS UCL > Provost and Vice Provost Offices > UCL BEAMS > Faculty of Maths and Physical Sciences UCL > Provost and Vice Provost Offices > UCL BEAMS > Faculty of Maths and Physical Sciences > Dept of Chemistry |
| URI: | https://discovery.ucl.ac.uk/id/eprint/10081570 |
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