The Influence of Reorientational and Vibrational Dynamics on the Mg²⁺ Conductivity in Mg(BH₄)₂·CH₃NH₂.

ABSTRACT: Reorientational dynamics in solid electrolytes can significantly enhance the ionic conductivity, and understanding these dynamics can facilitate the rational design of improved solid electrolytes. Additionally, recent investigations on metal hydridoborate-based solid electrolytes have shown that the addition of a neutral ligand can also have a positive effect on the ionic conductivity. In this study, we investigate the dynamics in monomethylamine magnesium borohydride (Mg(BH₄)₂·CH₃NH₂) with quasielastic and inelastic neutron scattering, density functional theory calculations, and molecular dynamics simulations. The results suggest that the addition of methylamine significantly speeds up the reorientational frequency of the BH₄ ^-</

SUBMITTER: Amdisen MB 

PROVIDER: S-EPMC11467906 | biostudies-literature | 2024 Oct

REPOSITORIES: biostudies-literature