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Systematic investigation of the proton vibrational dynamics in AB0.5M0.5O3H0.5 (A = Ba,Sr; B = Zr,Sn; M = In,Ga,Al) proton-conducting oxides

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DataCite Commons2020-09-07 更新2025-04-16 收录
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https://data.isis.stfc.ac.uk/doi/INVESTIGATION/111241034/
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资源简介:
Proton-conducting perovskites are promising materials for various energy-related applications. We have recently shown that indium-doped BaZrO3 (In/BZO) contains extra contributions in its vibrational spectra, in comparison to Sc/BZO or Y/BZO, which have been interpreted as the signature of a second population of proton sites with inter-octahedra geometry. To confirm and unveil the parameters at the origin of the presence of these additional proton sites, we aim to characterize in a systematic manner the lattice and vibrational dynamics, hence the proton local environments, of a series of compositions: AB0.5M0.5O3H0.5, with A=[Ba,Sr], B=[Zr,Sn], and M=[In,Ga,Al]. The results will allow us to understand which factors among the valence orbitals, chemical hardness, or cell parameters are at the origin of the presence of the inter-octahedra proton sites in cubic perovskites.
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ISIS Facility
创建时间:
2020-09-07
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