Email this article Geometry and electronic structure of (SiO2)3 clusters
- Authors: Petrov A.V.1, Murin I.V.1, Ivanov-Schitz A.K.2
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Affiliations:
- St. Petersburg State University
- Federal Research Center “Crystallography and Photonics,”
- Issue: Vol 87, No 7 (2017)
- Pages: 1456-1460
- Section: Article
- URL: https://journals.rcsi.science/1070-3632/article/view/220618
- DOI: https://doi.org/10.1134/S1070363217070027
- ID: 220618
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Abstract
Electronic structure of (SiO2)3 clusters was calculated by the density functional method. Charge states were determined using various functionals, bond lengths and total energies of clusters were estimated.
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About the authors
A. V. Petrov
St. Petersburg State University
Author for correspondence.
Email: a.petrov@spbu.ru
Russian Federation, Universitetskaya nab. 7–9, St. Petersburg, 199034
I. V. Murin
St. Petersburg State University
Email: a.petrov@spbu.ru
Russian Federation, Universitetskaya nab. 7–9, St. Petersburg, 199034
A. K. Ivanov-Schitz
Federal Research Center “Crystallography and Photonics,”
Email: a.petrov@spbu.ru
Russian Federation, Moscow
