Bekheet, Maged F. ; Schwarz, Marcus R. ; Kroll, Peter ; Gurlo, Aleksander (2015)
Kinetic control in the synthesis of metastable polymorphs: Bixbyite-to-Rh2O3(II)-to-corundum transition in In2O3.
In: Journal of Solid State Chemistry, 229
doi: 10.1016/j.jssc.2015.06.007
Article, Bibliographie
Abstract
An example for kinetic control of a solid-state phase transformation, in which the system evolves via the path with the lowest activation barrier rather than ending in the thermodynamically most favorable state, has been demonstrated. As a case study, the phase transitions of indium sesquioxide (In2O3) have been guided by theoretical calculations and followed in situ under high-pressure high-temperature conditions in multi-anvil assemblies. The corundum-type rh-In2O3 has been synthesized from stable bixbyite-type c-In2O3 in two steps: first generating orthorhombic Rh2O3-II-type o′-In2O3 which is thermodynamically stable at 8.5 GPa/850 °C and, thereafter, exploiting the preferred kinetics in the subsequent transformation to the rh-In2O3 during decompression. This synthesis strategy of rh-In2O3 was confirmed ex situ in a toroid-type high-pressure apparatus at 8 GPa and 1100 °C. The pressure–temperature phase diagrams have been constructed and the stability fields of In2O3 polymorphs and the crystallographic relationship between them have been discussed.
| Item Type: | Article |
|---|---|
| Erschienen: | 2015 |
| Creators: | Bekheet, Maged F. ; Schwarz, Marcus R. ; Kroll, Peter ; Gurlo, Aleksander |
| Type of entry: | Bibliographie |
| Title: | Kinetic control in the synthesis of metastable polymorphs: Bixbyite-to-Rh2O3(II)-to-corundum transition in In2O3 |
| Language: | English |
| Date: | September 2015 |
| Publisher: | Elsevier Science Publishing |
| Journal or Publication Title: | Journal of Solid State Chemistry |
| Volume of the journal: | 229 |
| DOI: | 10.1016/j.jssc.2015.06.007 |
| Abstract: | An example for kinetic control of a solid-state phase transformation, in which the system evolves via the path with the lowest activation barrier rather than ending in the thermodynamically most favorable state, has been demonstrated. As a case study, the phase transitions of indium sesquioxide (In2O3) have been guided by theoretical calculations and followed in situ under high-pressure high-temperature conditions in multi-anvil assemblies. The corundum-type rh-In2O3 has been synthesized from stable bixbyite-type c-In2O3 in two steps: first generating orthorhombic Rh2O3-II-type o′-In2O3 which is thermodynamically stable at 8.5 GPa/850 °C and, thereafter, exploiting the preferred kinetics in the subsequent transformation to the rh-In2O3 during decompression. This synthesis strategy of rh-In2O3 was confirmed ex situ in a toroid-type high-pressure apparatus at 8 GPa and 1100 °C. The pressure–temperature phase diagrams have been constructed and the stability fields of In2O3 polymorphs and the crystallographic relationship between them have been discussed. |
| Uncontrolled Keywords: | Metastable phases, Indium oxide, In situ characterization, Density functional theory, High pressure, Phase transitions |
| Divisions: | 11 Department of Materials and Earth Sciences > Material Science > Dispersive Solids 11 Department of Materials and Earth Sciences > Material Science 11 Department of Materials and Earth Sciences |
| Date Deposited: | 08 Jan 2016 09:22 |
| Last Modified: | 08 Jan 2016 09:22 |
| PPN: | |
| Funders: | The financial support by the German Research Foundation DFG (Grant number GU 992/8-1) within the priority programme SPP 1236 and DESY are greatly acknowledged., The authors would also like to thank Christian Lathe for technical support and the Helmholtz Centre Potsdam, GFZ German Research Centre for Geosciences, for the opportunity to perform measurements at the MAX200X press. |
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