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Open AccessArticle
Optoelectronic Properties of Triply Twisted Möbius Carbon Nanobelt and the Design of Its Isomeric Nanomaterials
by
Cailian Yao
Cailian Yao * and
Tao Wang
Tao Wang *
College of Science, Liaoning Petrochemical University, Fushun 113001, China
*
Authors to whom correspondence should be addressed.
Molecules 2024, 29(19), 4621; https://doi.org/10.3390/molecules29194621 (registering DOI)
Submission received: 27 August 2024
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Revised: 13 September 2024
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Accepted: 25 September 2024
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Published: 29 September 2024
Abstract
The triply twisted Möbius carbon nanobelt (TMCNB) possesses an extremely distinctive geometric and electronic structure and therefore is anticipated to demonstrate outstanding optical properties. In this paper, through integrating quantum chemical calculations and wave function analysis approaches, in-depth studies are conducted on the one-photon absorption (OPA) and two-photon absorption (TPA) characteristics, aromaticity, and circular dichroism of the TMCNB. Inspired by this structure, we further deform it to construct a novel structure, MCNB2, and verify the stability of this structure, thereby confirming its rationality. Since variations in structure will result in dissimilar optical properties, we also undertake theoretical analyses on the absorption properties and circular dichroism of MCNB2. The outcomes of this study offer a significant theoretical foundation for the design and construction of chiral optoelectronic materials.
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MDPI and ACS Style
Yao, C.; Wang, T.
Optoelectronic Properties of Triply Twisted Möbius Carbon Nanobelt and the Design of Its Isomeric Nanomaterials. Molecules 2024, 29, 4621.
https://doi.org/10.3390/molecules29194621
AMA Style
Yao C, Wang T.
Optoelectronic Properties of Triply Twisted Möbius Carbon Nanobelt and the Design of Its Isomeric Nanomaterials. Molecules. 2024; 29(19):4621.
https://doi.org/10.3390/molecules29194621
Chicago/Turabian Style
Yao, Cailian, and Tao Wang.
2024. "Optoelectronic Properties of Triply Twisted Möbius Carbon Nanobelt and the Design of Its Isomeric Nanomaterials" Molecules 29, no. 19: 4621.
https://doi.org/10.3390/molecules29194621
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