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JOURNALS // Computational nanotechnology // Archive

Comp. nanotechnol., 2018 Issue 2, Pages 46–48 (Mi cn185)

05.02.00. MECHANICAL ENGINEERING
05.02.04. FRICTION AND WEAR IN MACHINERIX

Electronic structure of complexes consisted of fullerenes, their fragments, and silicon dioxide nanoparticles

V. G. Zavodinskóa, A. P. Kuz’menkob

a Institute for Materials Science of the Russian Academy of Sciences, Khabarovsk, Russia
b South-West State University; Centre of nanotechnologies, Kursk, Russia

Abstract: The electronic structures of $C_{60}$ fullerens and their fragments ($C_{50}$, $C_{40}$, $C_{30}$, $C_{20}$ è $C_{10}$) contacting to silicon dioxide nanoparticles are studied within the density functional theory. It is shown, that the free fragments of fullerenes have energy gaps between the filled and empty states, comparable with the gap the characteristic of $C_{60}$ and sometimes exceeding it. However at the interaction with dielectric $SiO_2$ particles the energy gap can significantly decrease, the electronic structure of fullerene fragments assimilates to the electronic structure of metals. Such complexes can prove as efficient absorbers and dissipaters of electromagnetic radiation.

Keywords: fragments of fullerenes; carbon composites; electronic structure.



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