Formation of the icosahedral C<sub>60</sub> fullerene <i>via</i> migration of single sp atoms and annihilation of sp-atom pairs-Reference-Cited by-同舟云学术

Formation of the icosahedral C₆₀ fullerene via migration of single sp atoms and annihilation of sp-atom pairs

Published:2024 Issue:32 Volume:26 Page:21905-21911
ISSN:1463-9076
Container-title:Physical Chemistry Chemical Physics
language:en
Short-container-title:Phys. Chem. Chem. Phys.

Author:

Sinitsa Alexander S.¹²^ORCID,Polynskaya Yulia G.¹^ORCID,Matsokin Nikita A.¹^ORCID,Kedalo Yegor M.¹²³,Knizhnik Andrey A.¹²,Popov Andrey M.⁴^ORCID

Affiliation:

1. Kintech Lab Ltd., 3rd Khoroshevskaya Street 12, Moscow 123298, Russia

2. National Research Centre “Kurchatov Institute”, Kurchatov Square 1, Moscow 123182, Russia

3. Moscow Institute of Physics and Technology, 9 Institutskiy per., Dolgoprudny 141700, Russia

4. Institute of Spectroscopy of Russian Academy of Sciences, Fizicheskaya Street 5, Troitsk, Moscow 108840, Russia

Abstract

The icosahedral C60-Ih abundant fullerene isomer formation from the appropriate C58-C2v fullerene with a 7-ring due to directional migration of sp atoms to the 7-ring with subsequent sp-atom pair annihilation is considered using DFT calculations.

Funder

Russian Science Foundation

Publisher

Royal Society of Chemistry (RSC)

Link

http://pubs.rsc.org/en/content/articlepdf/2024/CP/D4CP02490G

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5. Formation of Fullerene Molecules from Carbon Nanotubes: A Quantum Chemical Molecular Dynamics Study