Computer simulation of adsorption of C₆₀ fullerene molecule on reconstructed defective Si(100) surfacee content of the body element is displayed in your browser

Authors

I. Urolov, Institute of Ion-Plasma and Laser Technologies, Tashkent, Uzbekistan; National University of Uzbekistan, Tashkent, Uzbekistan
Ishmumin Yadgarov, Institute of Ion-Plasma and Laser Technologies, Tashkent, Uzbekistan;
Ganiboy Raxmanov, National University of Uzbekistan, Tashkent, Uzbekistan

Abstract

In this work, based on the molecular dynamics (MD) method, the adsorption processes of C₆₀ fullerene molecules on the reconstructed defective silicon Si(100) surface with different configurations were simulated in the LAMMPS open package program. Second-order Brenner interatomic potential was used to determine interactions between Si-Si, C-C and Si-C atoms. The interaction of various shaped defect areas with the C₆₀ molecule on the surface of reconstructed silicon Si(100) was studied. As a result of calculations, stable adsorption states were determined by comparing the energy of C₆₀ molecule adsorption to the defective silicon Si(100) surface and the Si-C bond lengths, energy and bond lengths that occur in this process.

First Page

186

Last Page

193

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Recommended Citation

Urolov, I.; Yadgarov, Ishmumin; and Raxmanov, Ganiboy (2023) "Computer simulation of adsorption of C₆₀ fullerene molecule on reconstructed defective Si(100) surfacee content of the body element is displayed in your browser," Bulletin of National University of Uzbekistan: Mathematics and Natural Sciences: Vol. 6: Iss. 4, Article 2.
DOI: https://doi.org/10.56017/2181-1318.1258