Neutron scattering studies of complex lattice dynamics in energy materials (2505.06076v1)

Abstract: Lattice dynamics play a crucial role in understanding the physical mechanisms of cutting-edge energy materials. Many excellent energy materials have complex multiple-sublattice structures, with intricate lattice dynamics, and the underlying mechanisms are difficult to understand. Neutron scattering technologies, which are known for their high energy and momentum resolution, are powerful tools for simultaneously characterizing material structure and complex lattice dynamics. In recent years, neutron scattering techniques have made significant contributions to the study of energy materials, shedding light on their physical mechanisms. This review article details several neutron scattering techniques commonly used in energy material research, including neutron diffraction, total neutron scattering, quasi-elastic and inelastic neutron scattering. Then, some important research progress made in the field of energy materials in recent years using neutron scattering as the main characterization method is reviewed, including ultra-low lattice thermal conductivity in superionic thermoelectric materials, ion diffusion mechanism of solid-state electrolytes, plastic-crystalline phase transition and configuration entropy changes in barocaloric materials, lattice anharmonicity and charge transport in photovoltaic materials, and first-order magnetic-structural phase transition in magnetocaloric materials. In these complex energy conversion and storage materials, lattice dynamics do not work independently, and their functioning in macroscopic physical properties is always achieved through correlation or mutual coupling with other degrees of freedom, such as sublattices, charge, spin, etc. Through these typical examples, this review paper can provide a reference for further exploring and understanding the energy materials and lattice dynamics.