Role of the doping level in localized proton motions in acceptor-doped barium zirconate proton conductors.

Title Role of the doping level in localized proton motions in acceptor-doped barium zirconate proton conductors.
Authors D. Noferini; M.M. Koza; S.M.H. Rahman; Z. Evenson; G.J. Nilsen; S. Eriksson; A.R. Wildes; M. Karlsson
Journal Phys Chem Chem Phys
DOI 10.1039/c7cp07340b
Abstract

Acceptor-doped barium zirconates are currently receiving considerable interest because of their high proton conductivity at intermediate temperatures, making them applicable as electrolytes in various electrochemical devices, but the mechanism of proton conduction is unclear. Here, we investigate the role of the acceptor-dopant level in the localized proton motions, i.e. proton transfers between oxygens and O-H reorientations, in hydrated samples of the proton conducting, acceptor-doped, perovskites BaZr1-xInxO3-x/2 with x = 0.10 and 0.20, using quasielastic neutron scattering (QENS). Analysis of the QENS spectra reveals that several proton transfer and O-H reorientational motions contribute to the QENS signal, as a consequence of the locally disordered nature of the structure due to the In doping of these materials, and establishes a generic and complex picture of localized proton dynamics in acceptor-doped barium zirconate based proton conductors. A comparison of the QENS results with vibrational spectroscopy data of the same materials, as reported in the literature, suggests a predominance of O-H reorientational motions in the observed dynamics. The highest doping level corresponds to a more distorted structure and faster dynamics, which thus indicates that some degree of structural disorder is favourable for high local proton mobility.

Citation D. Noferini; M.M. Koza; S.M.H. Rahman; Z. Evenson; G.J. Nilsen; S. Eriksson; A.R. Wildes; M. Karlsson.Role of the doping level in localized proton motions in acceptor-doped barium zirconate proton conductors.. Phys Chem Chem Phys. 2018;20(20):1369713704. doi:10.1039/c7cp07340b

Related Elements

Barium

See more Barium products. Barium (atomic symbol: Ba, atomic number: 56) is a Block S, Group 2, Period 6 element with an atomic weight of 137.27. The number of electrons in each of barium's shells is [2, 8, 18, 18, 8, 2] and its electron configuration is [Xe] 6s2. Barium Bohr ModelBarium is a member of the alkaline-earth metals. The barium atom has a radius of 222 pm and a Van der Waals radius of 268 pm. Barium was discovered by Carl Wilhelm Scheele in 1772 and first isolated by Humphry Davy in 1808. Elemental BariumIn its elemental form, barium is a soft, silvery-gray metal. Industrial applications for barium include acting as a "getter," or unwanted gas remover, for vacuum tubes, and as an additive to steel and cast iron. Barium is also alloyed with silicon and aluminum in load-bearing alloys. The main commercial source of barium is the mineral barite (BaSO4); it does not occur naturally as a free element . The name barium is derived from the Greek word "barys," meaning heavy.

Zirconium

See more Zirconium products. Zirconium (atomic symbol: Zr, atomic number: 40) is a Block D, Group 4, Period 5 element with an atomic weight of 91.224. Zirconium Bohr ModelThe number of electrons in each of Zirconium's shells is 2, 8, 18, 10, 2 and its electron configuration is [Kr]4d2 5s2. The zirconium atom has a radius of 160 pm and a Van der Waals radius of 186 pm. Zirconium was discovered by Martin Heinrich Klaproth in 1789 and first isolated by Jöns Jakob Berzelius in 1824. In its elemental form, zirconium has a silvery white appearance that is similar to titanium. Zirconium's principal mineral is zircon (zirconium silicate). Elemental ZirconiumZirconium is commercially produced as a byproduct of titanium and tin mining and has many applications as a opacifier and a refractory material. It is not found in nature as a free element. The name of zirconium comes from the mineral zircon, the most important source of zirconium, and from the Persian wordzargun, meaning gold-like.

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