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- W2167374341 abstract "Perovskite materials host an incredible variety of functionalities. Although the lightest element, hydrogen, is rarely encountered in oxide perovskite lattices, it was recently observed as the hydride anion H−, substituting for the oxide anion in BaTiO3. Here we present a series of 30 new complex hydride perovskite-type materials, based on the non-spherical tetrahydroborate anion BH4− and new synthesis protocols involving rare-earth elements. Photophysical, electronic and hydrogen storage properties are discussed, along with counterintuitive trends in structural behaviour. The electronic structure is investigated theoretically with density functional theory solid-state calculations. BH4-specific anion dynamics are introduced to perovskites, mediating mechanisms that freeze lattice instabilities and generate supercells of up to 16 × the unit cell volume in AB(BH4)3. In this view, homopolar hydridic di-hydrogen contacts arise as a potential tool with which to tailor crystal symmetries, thus merging concepts of molecular chemistry with ceramic-like host lattices. Furthermore, anion mixing BH4−←X− (X−=Cl−, Br−, I−) provides a link to the known ABX3 halides. Complex metal hydrides are of interest for applications such as hydrogen storage, solid-state phosphors and solid electrolytes. Here the authors present the synthesis and properties of 30 complex hydride compounds with a perovskite crystal structure, based on the BH4−anion and new synthesis protocols involving rare-earth elements." @default.
- W2167374341 created "2016-06-24" @default.
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- W2167374341 date "2014-12-10" @default.
- W2167374341 modified "2023-10-18" @default.
- W2167374341 title "Structure and properties of complex hydride perovskite materials" @default.
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- W2167374341 doi "https://doi.org/10.1038/ncomms6706" @default.
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