Magnetic Compton Scattering Study of Li-Rich Battery Materials

The redox process in a lithium-ion battery occurs when a conduction electron from the lithium anode is transferred to the redox orbital of the cathode. Understanding the nature of orbitals involved in anionic as well as cationic redox reactions is important for improving the capacity and energy density of Li-ion batteries. In this connection, we have obtained magnetic Compton profiles (MCPs) from the Li-rich cation-disordered rock-salt compound LixTi0.4Mn0.4O2 (LTMO). The MCPs, which involved the scattering of circularly polarized hard X-rays, are given by the momentum density of all the unpaired spins in the material. The net magnetic moment in the ground state can be extracted from the area under the MCP, along with a SQUID measurement. Our analysis gives insight into the role of Mn 3d magnetic electrons and 0 2p holes in the magnetic redox properties of LTMO.

Automated summary

Understanding the nature of orbitals involved in the redox reactions of lithium-ion batteries is crucial for improving their capacity and energy density. The study of the magnetic Compton profiles of the LTMO compound provides insights into the role of Mn 3d magnetic electrons and 0 2p holes in the magnetic redox properties of LTMO.