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Structure and dehydration mechanism of the proton conducting oxide Ba2In2O5(H2O)(x)
Uppsala universitet, Teknisk-naturvetenskapliga vetenskapsområdet, Biologiska sektionen, Institutionen för cell- och molekylärbiologi, Molekylär biofysik. Chalmers, Dept Appl Phys, SE-41296 Gothenburg, Sweden..
Rutherford Appleton Lab, STFC, ISIS Facil, Didcot OX11 0QX, Oxon, England..
Chalmers, Dept Appl Phys, SE-41296 Gothenburg, Sweden..
Chalmers, Dept Appl Phys, SE-41296 Gothenburg, Sweden..
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2016 (Engelska)Ingår i: Journal of Materials Chemistry A, ISSN 2050-7488, Vol. 4, nr 4, s. 1224-1232Artikel i tidskrift (Refereegranskat) Published
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Abstract [en]

The structure and dehydration mechanism of the proton conducting oxide Ba2In2O5(H2O)(x) are investigated by means of variable temperature (20-600 degrees C) Raman spectroscopy together with thermal gravimetric analysis and inelastic neutron scattering. At room temperature, Ba2In2O5(H2O)(x) is found to be fully hydrated (x = 1) and to have a perovskite-like structure, which dehydrates gradually with increasing temperature and at around 600 degrees C the material is essentially dehydrated (x approximate to 0.2). The dehydrated material exhibits a brownmillerite structure, which is featured by alternating layers of InO6 octahedra and InO4 tetrahedra. The transition from a perovskite-like to a brownmillerite-like structure upon increasing temperature occurs through the formation of an intermediate phase at ca. 370 degrees C, corresponding to a hydration degree of approximately 50%. The structure of the intermediate phase is similar to the structure of the dehydrated material, but with the difference that it exhibits a non-centrosymmetric distortion of the InO6 octahedra that is not present in the dehydrated material. The dehydration process upon heating is a two-stage mechanism; for temperatures below the hydrated-to-intermediate phase transition, dehydration is characterized by a homogenous release of protons over the entire oxide lattice, whereas above the transition a preferential desorption of protons originating in the nominally tetrahedral layers is observed. Furthermore, our spectroscopic results point towards the co-existence of two structural phases, which relate to the two lowest-energy proton configurations in the material. The relative contributions of the two proton configurations depend on how the sample is hydrated.

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2016. Vol. 4, nr 4, s. 1224-1232
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Materialkemi
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URN: urn:nbn:se:uu:diva-280104DOI: 10.1039/c5ta05728kISI: 000368837800011OAI: oai:DiVA.org:uu-280104DiVA, id: diva2:910112
Forskningsfinansiär
Vetenskapsrådet, 2010-3519Vetenskapsrådet, 2011-4887Tillgänglig från: 2016-03-08 Skapad: 2016-03-08 Senast uppdaterad: 2017-11-30Bibliografiskt granskad

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Bielecki, Johan

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