Study of the Temperature- and Pressure-Dependent Structural Properties of Alkali Hydrido-closo-borate Compounds.

ABSTRACT: In this work, we report on the structural properties of alkali hydrido-closo-(car)borates, a promising class of solid-state electrolyte materials, using high-pressure and temperature-dependent X-ray diffraction experiments combined with density functional theory (DFT) calculations. The mechanical properties are determined via pressure-dependent diffraction studies and DFT calculations; the shear moduli appear to be very low for all studied compounds, revealing their high malleability (that can be beneficial for the manufacturing and stable cycling of all-solid-state batteries). The thermodiffraction experiments also reveal a high coefficient of thermal expansion for these materials. We discover a pressure-induced phase transition for K₂B₁₂H₁₂ from

SUBMITTER: Moury R 

PROVIDER: S-EPMC8985130 | biostudies-literature | 2022 Apr

REPOSITORIES: biostudies-literature