Investigation of Low-Energy Lattice Dynamics and Their Role in Superionic Na Diffusion and Ultralow Thermal Conductivity of Na3PSe4 as a Solid-State Electrolyte

MK Gupta, J Ding, HM Lin, Z Hood, NC Osti… - Chemistry of …, 2024 - ACS Publications
The atomic dynamics of Na3PSe4 were investigated using a combination of neutron
scattering experiments and ab initio and machine-learned molecular dynamics simulations …