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CHEMISTRY AND MATERIAL SCIENCE
Effect of high pressures and high temperatures on the structure of nanostructured titanium monoxide
A. A. Valeevaab, M. G. Kostenkob, A. Pfitznerc, A. A. Rempelba a Ural Federal University named after the first President of Russia B. N. Eltsin,
91, Mira st., Ekaterinburg, 620002, Russia
b Institute of Solid State Chemistry UB RAS, 91, Pervomaiskaya st., Ekaterinburg, 620990, Russia
c Institute of Inorganic Chemistry, Regensburg University, Regensburg, Germany
Abstract:
The structure of nanostructured titanium monoxide TiO$_{0.98}$ containing structural vacancies in two sublattices simultaneously has been modified via thermobaric annealing. Analysis of the experimental data on thermobaric synthesis of nanostructured TiO$_{0.98}$ with cubic
$B1$ type structure at temperatures $573$–$2273$ K and pressure $6$ GPa revealed that a transition from the cubic $B1$ (sp. gr.
$Fm\overline{3}m$) phase to the trigonal Ti$_2$O$_3$ (sp. gr. $R\overline{3}c$) phase takes place in the nanostructured monoxide as a result of high pressures and high temperatures. The first-principle calculations of the cohesive energy and electronic structure show that the trigonal phase with space group $R\overline{3}c$ is energetically favorable compared to the cubic phase of the same composition TiO$_{3/2}$ and the orthorhombic ordered Ti$_2$O$_3$ (sp. gr. $Immm$) phase.
Keywords:
nanostructured titanium monoxide, structural vacancy, nonstoichiometry, high pressure, high temperature, phase transition, electronic structure.
Received: 25.05.2018 Revised: 12.07.2018
Citation:
A. A. Valeeva, M. G. Kostenko, A. Pfitzner, A. A. Rempel, “Effect of high pressures and high temperatures on the structure of nanostructured titanium monoxide”, Nanosystems: Physics, Chemistry, Mathematics, 9:4 (2018), 544–548
Linking options:
https://www.mathnet.ru/eng/nano342 https://www.mathnet.ru/eng/nano/v9/i4/p544
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Abstract page: | 87 | Full-text PDF : | 28 |
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