Geodesic
Stable Ti$_9$O$_{10}$ nanophase grown from nonstoichiometric titanium monoxide TiO$_y$ nanopowder
Nanosistemy: fizika, himiâ, matematika, Tome 8 (2017) no. 6, pp. 816-822 Cet article a éte moissonné depuis la source Math-Net.Ru

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A new stable Ti$_9$O$_{10}$ nanophase (sp. gr. Immm) has been detected by X-ray diffraction (XRD) after high energy ball milling and long-term vacuum annealing of nanocrystalline powder of nonstoichiometric disordered and ordered titanium monoxide TiO$_y$ with B1 structure (sp. gr. Fm$\bar3$m). With the help of XRD data, the unit cell of the Ti$_9$O$_{10}$ nanophase as well as the distribution of atoms and structural vacancies in the titanium and oxygen sublattices of this phase have been established. The crystal structure of Ti$_9$O$_{10}$ is derived from that of TiO$_y$ by (a) a migration of the vacancies to the specific crystallographic planes of B1 structure and (b) by orthorhombic distortions. The DFT calculations of the full energy of the coarsecrystalline phases TiO$_y$ and Ti$_9$O$_{10}$ revealed that the bulk ordered phase Ti$_9$O$_{10}$ is not preferable in comparison with the bulk disordered cubic phase TiO$_y$ with the same content of vacancies in the sublattices, so, it is the nanostate that causes the formation of Ti$_9$O$_{10}$.
Keywords: Titanium monoxide, ball milling, nanophase Ti$_9$O$_{10}$, electronic structure.
Mots-clés : phase transition 
@article{NANO_2017_8_6_a15,
     author = {A. A. Valeeva and M. G. Kostenko},
     title = {Stable {Ti}$_9${O}$_{10}$ nanophase grown from nonstoichiometric titanium monoxide {TiO}$_y$ nanopowder},
     journal = {Nanosistemy: fizika, himi\^a, matematika},
     pages = {816--822},
     year = {2017},
     volume = {8},
     number = {6},
     language = {en},
     url = {http://geodesic.mathdoc.fr/item/NANO_2017_8_6_a15/}
}
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%A M. G. Kostenko
%T Stable Ti$_9$O$_{10}$ nanophase grown from nonstoichiometric titanium monoxide TiO$_y$ nanopowder
%J Nanosistemy: fizika, himiâ, matematika
%D 2017
%P 816-822
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A. A. Valeeva; M. G. Kostenko. Stable Ti$_9$O$_{10}$ nanophase grown from nonstoichiometric titanium monoxide TiO$_y$ nanopowder. Nanosistemy: fizika, himiâ, matematika, Tome 8 (2017) no. 6, pp. 816-822. http://geodesic.mathdoc.fr/item/NANO_2017_8_6_a15/