Proton vibrational dynamics in Sc-doped BaTiO3 proton conductors
Proton conducting BaTi1-xScxO3Hx perovskites are promising materials as fuel cell electrolyte for intermediate temperature devices (400-800°C). Compared to BaZrO3-based materials, Sc-doped BaTiO3 materials undergo a phase transition between the cubic perovskite structure at high doping level, and a 6H hexagonal perovskite phase a low doping level, associated with a drop in proton conductivity. In order to link the macroscopic conductivity behavior to the structures and microscopic diffusion mechanism, we aim to characterize the proton vibrational dynamics and, subsequently, the local environments of the proton sites, for several compositions of both the hexagonal and cubic phases. The proton dynamics being characterized by wag and stretch modes at about E=100-120 meV and E=430-450 meV respectively, the IN1 Lagrange spectrometer is the most suited spectrometer for this investigation. The experimental results will be valuable not only to understand the change in behavior with the phase transition, but in a larger view, will provide insights on the effects of acceptor-doping in proton conducting perovskites over a large composition series.
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PERRICHON Adrien; JIMENEZ RUIZ Monica; KARLSSON Maths; RAHMAN Seikh and TORINO Nico. (2018). Proton vibrational dynamics in Sc-doped BaTiO3 proton conductors. Institut Laue-Langevin (ILL) doi:10.5291/ILL-DATA.7-03-164
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