https://doi.org/10.1140/epjd/s10053-023-00735-0
Regular Article – Clusters and Nanostructures
Carbon nanotubes with point defects produced by ionizing radiation: a study using DFTB
1
Instituto Superior de Tecnologías y Ciencias Aplicadas (InSTEC), Universidad de La Habana, Ave. Salvador Allende 1110, 10400, Havana, Cuba
2
Deutsches Elektronen-Synchrotron (DESY), Notkestrasse 85, 22607, Hamburg, Germany
Received:
9
March
2023
Accepted:
17
July
2023
Published online:
7
August
2023
The effect of the ionizing radiation on the structure and properties of carbon nanotubes (CNTs) is of great theoretical and practical interest, due to their potential applications in the electronics and other fields, including nuclear energy. Although several investigations have been devoted to this issue in the last years, many aspects of that interaction are still not well understood. With the objective of achieving a better understanding of these processes, in the present work the density functional based tight binding method is used to study CNTs of single and multiple layers, in which the kind of defects that typically appear under the action of the radiation (vacancies, divacancies, Stone-Wales defects and other) were introduced. The results related with the energy of formation of those defects and the geometric and energy modifications that take place in the CNTs with different chirality and number of layers are presented.
Supplementary Information The online version contains supplementary material available at https://doi.org/10.1140/epjd/s10053-023-00735-0.
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© The Author(s), under exclusive licence to EDP Sciences, SIF and Springer-Verlag GmbH Germany, part of Springer Nature 2023. Springer Nature or its licensor (e.g. a society or other partner) holds exclusive rights to this article under a publishing agreement with the author(s) or other rightsholder(s); author self-archiving of the accepted manuscript version of this article is solely governed by the terms of such publishing agreement and applicable law.
