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.
In: Crystals, 2022, 11 (12)
doi: 10.26083/tuprints-00020278
Artikel, Zweitveröffentlichung, Verlagsversion
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Kurzbeschreibung (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.
| Typ des Eintrags: | Artikel |
|---|---|
| Erschienen: | 2022 |
| Autor(en): | Finger, Raphael ; Widenmeyer, Marc ; Hansen, Thomas C. ; Wallacher, Dirk ; Savvin, Stanislav ; Bertmer, Marko ; Weidenkaff, Anke ; Kohlmann, Holger |
| Art des Eintrags: | Zweitveröffentlichung |
| Titel: | Effects of Cr Doping and Water Content on the Crystal Structure Transitions of Ba₂In₂O₅ |
| Sprache: | Englisch |
| Publikationsjahr: | 2022 |
| Publikationsdatum der Erstveröffentlichung: | 2022 |
| Verlag: | MDPI |
| Titel der Zeitschrift, Zeitung oder Schriftenreihe: | Crystals |
| Jahrgang/Volume einer Zeitschrift: | 11 |
| (Heft-)Nummer: | 12 |
| Kollation: | 19 Seiten |
| DOI: | 10.26083/tuprints-00020278 |
| URL / URN: | https://tuprints.ulb.tu-darmstadt.de/20278 |
| Zugehörige Links: | |
| Herkunft: | Zweitveröffentlichung DeepGreen |
| Kurzbeschreibung (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. |
| Freie Schlagworte: | X-ray diffraction, neutron diffraction, Raman spectroscopy, crystal structure, in situ studies, brownmillerite, Ba2In2O5 |
| Status: | Verlagsversion |
| URN: | urn:nbn:de:tuda-tuprints-202784 |
| Sachgruppe der Dewey Dezimalklassifikatin (DDC): | 500 Naturwissenschaften und Mathematik > 540 Chemie |
| Fachbereich(e)/-gebiet(e): | 11 Fachbereich Material- und Geowissenschaften 11 Fachbereich Material- und Geowissenschaften > Materialwissenschaft |
| Hinterlegungsdatum: | 22 Apr 2022 12:14 |
| Letzte Änderung: | 25 Apr 2022 06:22 |
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- Effects of Cr Doping and Water Content on the Crystal Structure Transitions of Ba₂In₂O₅. (deposited 22 Apr 2022 12:14) [Gegenwärtig angezeigt]
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