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Effects of Cr Doping and Water Content on the Crystal Structure Transitions of Ba₂In₂O₅

Finger, Raphael ; Widenmeyer, Marc ; Hansen, Thomas C. ; Wallacher, Dirk ; Savvin, Stanislav ; Bertmer, Marko ; Weidenkaff, Anke ; Kohlmann, Holger (2022):
Effects of Cr Doping and Water Content on the Crystal Structure Transitions of Ba₂In₂O₅. (Publisher's Version)
In: Crystals, 11 (12), MDPI, e-ISSN 2073-4352,
DOI: 10.26083/tuprints-00020278,
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Item Type: Article
Origin: Secondary publication DeepGreen
Status: Publisher's Version
Title: Effects of Cr Doping and Water Content on the Crystal Structure Transitions of Ba₂In₂O₅
Language: English
Abstract:

Temperature-dependent crystal structure alterations in the brownmillerite-type material Ba₂In₂O₅ play a fundamental role in its applications: (i) photocatalytic CO₂ conversion; (ii) oxygen transport membranes; and (iii) proton conduction. This is connected to a reversible uptake of up an equimolar amount of water. In this study, in situ X-ray and neutron diffraction were combined with Raman spectroscopy and solid-state nuclear magnetic resonance experiments to unravel the effects of Cr doping and water content on the crystal structure transitions of Ba₂In₂O₅(H₂O)x over a wide temperature range (10 K ≤ T ≤ 1573 K, x < 1). A mixture of isolated and correlated protons was identified, leading to a highly dynamic situation for the protons. Hence, localisation of the protons by diffraction techniques was not possible. Cr doping led to an overall higher degree of disorder and stabilisation of the tetragonal polymorph, even at 10 K. In contrast, a further disordering at high temperatures, leading to a cubic polymorph, was found at 1123 K. Cr doping in Ba₂In₂O₅ resulted in severe structural changes and provides a powerful way to adjust its physical properties to the respective application.

Journal or Publication Title: Crystals
Volume of the journal: 11
Issue Number: 12
Publisher: MDPI
Collation: 19 Seiten
Uncontrolled Keywords: X-ray diffraction, neutron diffraction, Raman spectroscopy, crystal structure, in situ studies, brownmillerite, Ba2In2O5
Classification DDC: 500 Naturwissenschaften und Mathematik > 540 Chemie
Divisions: 11 Department of Materials and Earth Sciences > Material Science
Date Deposited: 22 Apr 2022 12:14
Last Modified: 22 Apr 2022 12:15
DOI: 10.26083/tuprints-00020278
Corresponding Links:
URN: urn:nbn:de:tuda-tuprints-202784
SWORD Depositor: Deep Green
URI: https://tuprints.ulb.tu-darmstadt.de/id/eprint/20278
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