Quantum-chemical simulation of adsorption of B+ ions on a SiO2/Si(100) interface |
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| Authors: | O. Yu. Anan’yina A. S. Yanovs’ky |
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| Affiliation: | (1) Zaporozh’e National University, Zaporozh’e, 69600, Ukraine |
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| 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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