Hydrostatic pressure effect on structural and transport properties of co-existing layered and disordered rock-salt phase of LixCoO2

• DOI: 10.48550/arxiv.2401.11446
• Publication Date: 2024-01-01
• Authors: Thiagarajan Maran; Anil Jain; Muthukumaran Sund...; A. P. Roy; Boby Joseph; Govindaraj Lingannan; Ashwin Mohan; Dipanshu Bansal; S. M. Yusuf; S. Arumugam; Lorie A. Kloda
• Keywords: Hydrostatic pressure; Ambient pressure

It is widely believed that the origin of a significant cause for voltage and capacity fading observed in lithium (Li)-ion batteries related to structural modifications occurring cathode material during Li-ion insertion/de-insertion process. The mechanism resulting changes are known exert severe strain on lattice, consequently leading performance degradation. Here, with view shed more light effect such properties material, we have systematically investigated pressure dependence transport an LixCoO2 single crystal, grown using 5% excess Li precursors. Ambient synchrotron diffraction these crystals reveals that, growth, has facilitated stabilization layered rhombohedral phase (space group R3m) as well disordered rock-salt Fm3m). volume fraction cubic 60:40, respectively, which remains unchanged up 10.6 GPa. No transition been An increase resistance decrease temperature revealed semi-metallic nature sample. Further, application hydrostatic 2.8 GPa shows enhancement nature. obtained experimental results can be qualitatively explained via density functional theory (DFT) thermodynamics modelling. calculated states was reduced, activation energy increased by applied pressure. Our investigations indicate stability mixed under externally high thus suggest possible use materials lithium-ion batteries.