LiCoO is the prototypical cathode in lithium-ion batteries. Its crystal structure consists of Li and CoO 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 plane of the layered cathode is ∼6 times higher than that along the axis. An upper limit to the average thermal conductivity at = 300 K of 38.5 W m K is set by short phonon lifetimes associated with anharmonic interactions within the octahedral face-sharing CoO network. Observations of conductivity <10 W m K can be understood by additional scattering channels including grain boundaries in polycrystalline samples. The impact on thermal processes in lithium-ion batteries is discussed.
Download full-text PDF |
Source |
|---|---|
| http://dx.doi.org/10.1021/acs.jpclett.9b02073 | DOI Listing |
Publication Analysis
Top Keywords
Similar Publications
Omnidirectional 3D Printing of PEDOT: PSS Aerogels with Tunable Electromechanical Performance: A Playground for Unconventional Stretchable Interconnects and Thermoelectrics.
Adv Sci (Weinh)
January 2025
Department of Materials Engineering, KU Leuven, Kasteelpark Arenberg 44, Leuven, 3001, Belgium.
The next generation of soft electronics will expand to the third dimension. This will require the integration of mechanically compliant 3D functional structures with stretchable materials. Here, omnidirectional direct ink writing (DIW) of poly(3,4-ethylenedioxythiophene): polystyrene sulfonate (PEDOT:PSS) aerogels with tunable electrical and mechanical performance is demonstrated, which can be integrated with soft substrates.
View Article and Find Full Text PDFThermoelectric properties of the low-spin lanthanide cobalate perovskites LaCoO, PrCoO, and NdCoO from first-principles calculations.
Phys Chem Chem Phys
January 2025
Department of Chemistry, University of Manchester, Oxford Road, Manchester M13 9PL, UK.
An modelling workflow is used to predict the thermoelectric properties and figure of merit of the lanthanide cobalates LaCoO, PrCoO and NdCoO in the orthorhombic phase with the low-spin magnetic configuration. The LnCoO show significantly lower lattice thermal conductivity than the widely-studied SrTiO, due to lower phonon velocities, with a large component of the heat transport through an intraband tunnelling mechanism characteristic of amorphous materials. Comparison of the calculations to experimental measurements suggests the p-type electrical properties are significantly degraded by the thermal spin crossover, and materials-engineering strategies to suppress this could yield improved .
View Article and Find Full Text PDFNon-ionic surfactant self-assembly in calcium nitrate tetrahydrate and related salts.
Soft Matter
January 2025
School of Chemistry and University of Sydney Nano Institute, The University of Sydney, Sydney, NSW, 2006, Australia.
Self-assembly of amphiphilic molecules can take place in extremely concentrated salt solutions, such as inorganic molten salt hydrates or hydrous melts. The intermolecular interactions governing the organization of amphiphilic molecules under such extreme conditions are not yet fully understood. In this study, we investigated the specific effects of ions on the self-assembly of the non-ionic surfactant CH(OCHCH)OH (CE) under extreme salt concentrations, using calcium nitrate tetrahydrate as a reference.
View Article and Find Full Text PDFGraft-to/Graft-From Synthesis of Janus Graft Copolymers for Bottlebrush Polymer Electrolytes.
Macromol Rapid Commun
January 2025
Laboratory of Material Chemistry for Energy Conversion and Storage, Ministry of Education, Hubei Key Laboratory of Material Chemistry and Service Failure, School of Chemistry and Chemical Engineering, Huazhong University of Science and Technology, Wuhan, 430074, China.
Janus graft copolymers, which combine the characteristics of block and graft copolymers, have been used in the fields of reaction catalysis, surface modification, and drug delivery, but their applications in lithium batteries have rarely been reported. Herein, Janus graft copolymers with polyethylene glycol (PEG) and polystyrene (PS) side chains are synthesized by combining reversible addition-fragmentation chain transfer (RAFT) polymerization and atom transfer radical polymerization (ATRP) methods and doped with lithium salts to fabricate Janus bottlebrush polymer electrolytes (PEG-J-PS). The PEG side chains of the brush polymers impart good ion-conducting properties to the electrolytes, while the PS side chains improve the mechanical strength and thermal and chemical stability of the electrolytes.
View Article and Find Full Text PDFElectronic Impact of High-Energy Metal Deposition on Ultrathin Oxide Semiconductors.
Nano Lett
January 2025
Institute of Electronics, National Yang Ming Chiao Tung University, Hsinchu 300093, Taiwan.
High-energy metal deposition significantly impacts the performance and reliability of two-dimensional (2D) semiconductors and nanodevices. This study investigates the localized annealing effect in atomically thin InO induced during high-energy metal deposition. The localized heating effect alters the electronic performance of InO devices, especially in shorter channel devices, where heat dissipation is further constrained.
View Article and Find Full Text PDFWant AI Summaries of new PubMed Abstracts delivered to your In-box?
Enter search terms and have AI summaries delivered each week - change queries or unsubscribe any time!