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Computer Simulation Of Adsorption Of C60 Fullerene Molecule On Reconstructed Defective Si(100) Surfacee Content Of The Body Element Is Displayed In Your Browser, I. Urolov, Ishmumin Yadgarov, Ganiboy Raxmanov

Bulletin of National University of Uzbekistan: Mathematics and Natural Sciences

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 …