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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, and their lattice dynamics are intricate and the underlying mechanisms are difficult to understand. Neutron scattering technologies, 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 significantly contributed to the study of energy materials, shedding light on their physical mechanisms. Starting from the basic properties of neutrons and double differential scattering cross sections, this paper introduces in detail the working principles, spectrometer structures, and comparisons with other technologies of several neutron scattering techniques commonly used in energy material research, including neutron diffraction and neutron total scattering to characterize material structure, quasi-elastic neutron scattering and inelastic neutron scattering to characterize lattice dynamics. Then, this article showcases significant research advancements in the field of energy materials utilizing neutron scattering as a primary characterization method:
1. In the case of Ag8SnSe6 superionic thermoelectric materials, single crystal inelastic neutron scattering experiments debunk the "liquid-like phonon model" as the primary contributor to ultra-low lattice thermal conductivity. Instead, extreme phonon anharmonic scattering is identified as the key factor based on the special temperature dependence of phonon linewidth.
2. Analysis of quasi-elastic and inelastic neutron scattering spectra reveals changes in the correlation between framework and Ag+ sublattices during the superionic phase transition of Ag8SnSe6 compounds. Further investigations using neutron diffraction and molecular dynamics simulations unveil a new superionic phase transition and ion diffusion mechanism, primarily governed by weakly bonded Se atoms.
3. Research on NH4I compounds demonstrates a strong coupling between molecular orientation rotation and lattice vibration, and the strengthening of phonon anharmonicity with temperature can decouple this interaction and induce plastic phase transition. This phenomenon results in a significant configuration entropy change, showing potential applications in barocaloric refrigeration.
4. In the CsPbBr3 perovskite photovoltaic materials, inelastic neutron scattering uncovers low-energy phonon damping of the [PbBr6] sublattice, influencing electron-phonon coupling and the band edge electronic state. This special anharmonic vibration of the [PbBr6] sublattice prolongs the lifetime of hot carriers, impacting the material's electronic properties.
5. In MnCoGe magnetic refrigeration materials, in-situ neutron diffraction experiments highlight the role of valence electron transfer between sublattices in altering crystal structural stability and magnetic interactions. This process triggers a transformation from a ferromagnetic to an incommensurate spiral antiferromagnetic structure, expanding our understanding of magnetic phase transition regulation.
These examples underscore the interconnected nature of lattice dynamics with other degrees of freedom, such as sublattices, charge, and spin, in energy conversion and storage materials. Through these typical examples, this article aims to provide a reference for further exploration and understanding of energy materials and lattice dynamics.-
Keywords:
- Neutron scattering /
- Thermoelectric materials /
- Solid-state electrolytes /
- Caloric effects
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