Mechanism of Hydride-Ion Diffusion in the Oxyhydride of Barium Titanate
Journal article, 2025
Perovskite-type oxyhydrides stand out as hydride-ion conductors of relevance for diverse technological applications, but fundamental questions surrounding the relationship between the mechanism of hydride-ion diffusion and the local structure of these materials remain to be elucidated. Here, in a quasielastic neutron scattering (QENS) study of two perovskite-type oxyhydrides of barium titanate, BaTiO2.67H0.12□0.21 (□ refers to anion vacancies) and BaTiO2.88H0.12, we establish that the mechanism of hydride-ion diffusivity relies on hydride-ion jumps to nearest-neighbor anion vacancies. Combined analyses of QENS and structural data for BaTiO2.67H0.12□0.21 show that the diffusion process is characterized by two different time scales, possibly related to diffusion in regions featured by different concentrations of anion vacancies. It follows that designing materials with specific concentrations of anion vacancies may be an effective route to optimize hydride-ion conductivity toward specific applications.
Defects in solids
Scattering
Materials
Diffusion
Anions
Author
Rasmus Lavén
Chalmers, Chemistry and Chemical Engineering, Applied Chemistry
Lucas Fine
Institut Laue-Langevin
Chalmers, Chemistry and Chemical Engineering, Energy and Material
Elena Naumovska
Chalmers, Chemistry and Chemical Engineering, Energy and Material
Hua Guo
Stockholm University
Ulrich Häussermann
Stockholm University
Aleksander Jaworski
Stockholm University
Masato Matsuura
Comprehensive Research Organization for Science and Society (CROSS)
M. Koza
Institut Laue-Langevin
Maths Karlsson
Chalmers, Chemistry and Chemical Engineering, Energy and Material
Journal of Physical Chemistry C
1932-7447 (ISSN) 1932-7455 (eISSN)
Vol. 129 27 12305-12311Thermal quenching of luminescence in hybrid organic-inorganic perovskites - Neutron scattering studies of the effect of organic cation dynamics
Swedish Research Council (VR) (2021-04807), 2022-01-01 -- 2025-12-31.
Surface/interface dynamics investigated with neutron scattering
Swedish Research Council (VR) (2016-06958), 2017-01-01 -- 2020-12-31.
Subject Categories (SSIF 2025)
Materials Chemistry
Condensed Matter Physics
DOI
10.1021/acs.jpcc.5c02250