Optically active defects in carbon nanotubes via chlorination: computational insights

Weight, Braden M.; Gifford, Brendan J.; Tiffany, Grace; Henderson, Elva; Mihaylov, Deyan; Kilin, Dmitri; Kilina, Svetlana

doi:10.1039/D3LF00064H

Title: Optically active defects in carbon nanotubes via chlorination: computational insights

Journal Article · 11 March 2024 · RSC Applied Interfaces

DOI: https://doi.org/10.1039/D3LF00064H · OSTI ID:2217566

^[1]; Gifford, Brendan J. ^[2]; Tiffany, Grace ^[3]; Henderson, Elva ^[4]; Mihaylov, Deyan ^[5];

^[3];

^[3]

Department of Chemistry and Biochemistry, North Dakota State University, Fargo, North Dakota 58108, USA, Department of Physics and Astronomy, University of Rochester, Rochester, NY 14627, USA
Department of Chemistry and Biochemistry, North Dakota State University, Fargo, North Dakota 58108, USA, Center for Integrated Nanotechnologies, Materials Physics and Applications Division, Los Alamos National Laboratory, Los Alamos, New Mexico 87545, USA
Department of Chemistry and Biochemistry, North Dakota State University, Fargo, North Dakota 58108, USA
Department of Chemistry and Biochemistry, North Dakota State University, Fargo, North Dakota 58108, USA, University of Pittsburgh, Pittsburgh, PA 15260, USA
Theory Division, Laboratory for Laser Energetics, University of Rochester, Rochester, NY 14627, USA

The effect of chlorination on the electronic structure and optical spectra of (6,2) carbon nanotubes is studied computationally, revealing optically active defect-related states when chlorines are placed close to each other at a dilute concentration.

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Research Organization:: North Dakota State University, Fargo, ND (United States)

Sponsoring Organization:: National Science Foundation (NSF); USDOE; USDOE Laboratory Directed Research and Development (LDRD) Program; USDOE Office of Science (SC), Basic Energy Sciences (BES). Scientific User Facilities (SUF)

Grant/Contract Number:: AC02-05CH11231; SC0021287

OSTI ID:: 2217566

Journal Information:: RSC Applied Interfaces, Journal Name: RSC Applied Interfaces Journal Issue: 2 Vol. 1; ISSN 2755-3701; ISSN RAISCD

Publisher:: Royal Society of Chemistry (RSC)Copyright Statement

Country of Publication:: Country unknown/Code not available

Language:: English

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