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Electronic Structure of Fullerenelike Molecules Based on TiO2, SnO2, and SnS2

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Abstract

Quantum-chemical modeling of electronic structure and interatomic interaction parameters has been performed for a series of fullerenelike cage molecules based on the isoelectronic TiO2, SnO2, and SnS2. The above characteristics are analyzed in relation to the type of atomic configuration, as well as the size and chemical composition of a nanostructure.

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Authors and Affiliations

  1. Institute of Solid State Chemistry, Ural Branch, Russian Academy of Sciences, Ekaterinburg

    V. V. Ivanovskaya, A. N. Enyashin & A. L. Ivanovskii

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  1. V. V. Ivanovskaya
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  2. A. N. Enyashin
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  3. A. L. Ivanovskii
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Ivanovskaya, V.V., Enyashin, A.N. & Ivanovskii, A.L. Electronic Structure of Fullerenelike Molecules Based on TiO2, SnO2, and SnS2 . Journal of Structural Chemistry 45, 151–155 (2004). https://doi.org/10.1023/B:JORY.0000041514.06121.de

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  • DOI: https://doi.org/10.1023/B:JORY.0000041514.06121.de

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