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Zhurnal Tekhnicheskoi Fiziki, 2011, Volume 81, Issue 4, Pages 138–140 (Mi jtf9109)  
This article is cited in 3 scientific papers (total in 3 papers)

Brief Communications

Simulation of the atomic and electronic structures of mesoporous SiO$_2$ containing Ti$^{4+}$ and Zr$^{4+}$ ions

A. N. Chibisova, M. A. Chibisovab

a Institute of Geology and Nature Management, Far-Eastern Branch, Russian Academy of Sciences, Blagoveshchensk
b Amur State University, Blagoveshchensk, Amur region
Full-text PDF (117 kB) Citations (3)
Abstract: The influence of Ti and Zr impurity atoms on the atomic and electronic structures of a mesoporous SiO$_2$ matrix is ab initio simulated in a generalized gradient approximation. Energetically favorable positions of titanium and zirconium in the structure are revealed. The incorporation of Zr and Ti ions is shown to decrease the bandgap.
Received: 17.04.2010
English version:
Technical Physics, 2011, Volume 56, Issue 4, Pages 567–569
DOI: https://doi.org/10.1134/S1063784211040116
Bibliographic databases:
Document Type: Article
Language: Russian
Citation: A. N. Chibisov, M. A. Chibisova, “Simulation of the atomic and electronic structures of mesoporous SiO$_2$ containing Ti$^{4+}$ and Zr$^{4+}$ ions”, Zhurnal Tekhnicheskoi Fiziki, 81:4 (2011), 138–140; Tech. Phys., 56:4 (2011), 567–569
Citation in format AMSBIB
\Bibitem{ChiChi11}
\by A.~N.~Chibisov, M.~A.~Chibisova
\paper Simulation of the atomic and electronic structures of mesoporous SiO$_2$ containing Ti$^{4+}$ and Zr$^{4+}$ ions
\jour Zhurnal Tekhnicheskoi Fiziki
\yr 2011
\vol 81
\issue 4
\pages 138--140
\mathnet{http://mi.mathnet.ru/jtf9109}
\elib{https://elibrary.ru/item.asp?id=20324905}
\transl
\jour Tech. Phys.
\yr 2011
\vol 56
\issue 4
\pages 567--569
\crossref{https://doi.org/10.1134/S1063784211040116}
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    • This publication is cited in the following 3 articles:
    Citing articles in Google Scholar: Russian citations, English citations
    Related articles in Google Scholar: Russian articles, English articles
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