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Quantum-chemical simulation of adsorption of B+ ions on a SiO2/Si(100) interface

  • Proceedings of the XVIII International Conference “Interaction of Ions with Surface (VIP-2007)”
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Bulletin of the Russian Academy of Sciences: Physics Aims and scope

Abstract

Quantum-chemical simulation of adsorption and migration of B+ ions on a SiO2/Si(100) interface has been performed. The dependences of the total energy of the cluster-B+ ion system on the reaction coordinate and geometric and electronic characteristics of the equilibrium states of a cluster with an adsorbed boron ion have been calculated.

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Authors and Affiliations

  1. Zaporozh’e National University, Zaporozh’e, 69600, Ukraine

    O. Yu. Anan’yina & A. S. Yanovs’ky

Authors
  1. O. Yu. Anan’yina
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  2. A. S. Yanovs’ky
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Correspondence to O. Yu. Anan’yina.

Additional information

Original Russian Text © O.Yu. Anan’yina, A.S. Yanovs’ky, 2008, published in Izvestiya Rossiiskoi Akademii Nauk. Seriya Fizicheskaya, 2008, Vol. 72, No. 5, pp. 628–631.

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Anan’yina, O.Y., Yanovs’ky, A.S. Quantum-chemical simulation of adsorption of B+ ions on a SiO2/Si(100) interface. Bull. Russ. Acad. Sci. Phys. 72, 592–595 (2008). https://doi.org/10.3103/S1062873808050055

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  • DOI: https://doi.org/10.3103/S1062873808050055

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