Influence of local strain caused by cycloaddition on the band gap control of functionalized single-walled carbon nanotubes

Fine control of the band gap of single-walled carbon nanotubes (SWNTs) has been achieved by the functionalization with dibromoalkanes, namely, 1,3-dibromopropane (1a), 1,4-dibromobutane (1b), 1,5-dibromopentane (1c), and 1,8-bis(bromomethyl)naphthalene (1d). Red-shifted photoluminescence (PL) peaks...

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Autores principales: Maeda, Yutaka, Kuroda, Kiyonori, Tambo, Haruto, Murakoshi, Hiyori, Konno, Yui, Yamada, Michio, Zhao, Pei, Zhao, Xiang, Nagase, Shigeru, Ehara, Masahiro
Formato: Online Artículo Texto
Lenguaje:English
Publicado: The Royal Society of Chemistry 2019
Materias:
Chemistry
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9064015/
https://www.ncbi.nlm.nih.gov/pubmed/35519309
http://dx.doi.org/10.1039/c9ra02183c
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author Maeda, Yutaka
Kuroda, Kiyonori
Tambo, Haruto
Murakoshi, Hiyori
Konno, Yui
Yamada, Michio
Zhao, Pei
Zhao, Xiang
Nagase, Shigeru
Ehara, Masahiro
author_facet Maeda, Yutaka
Kuroda, Kiyonori
Tambo, Haruto
Murakoshi, Hiyori
Konno, Yui
Yamada, Michio
Zhao, Pei
Zhao, Xiang
Nagase, Shigeru
Ehara, Masahiro
author_sort Maeda, Yutaka
collection PubMed
description Fine control of the band gap of single-walled carbon nanotubes (SWNTs) has been achieved by the functionalization with dibromoalkanes, namely, 1,3-dibromopropane (1a), 1,4-dibromobutane (1b), 1,5-dibromopentane (1c), and 1,8-bis(bromomethyl)naphthalene (1d). Red-shifted photoluminescence (PL) peaks observed at 1215–1242 nm were assigned to the local band gaps of the chemically functionalized SWNTs 2a, 2b, 2c, and 2d, respectively. Density functional theory (DFT) and time-dependent DFT calculations for 2a–2d suggest that “local strain” induced by cycloaddition plays an important role in tuning the local band gap energies of functionalized SWNTs.
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spelling pubmed-90640152022-05-04 Influence of local strain caused by cycloaddition on the band gap control of functionalized single-walled carbon nanotubes Maeda, Yutaka Kuroda, Kiyonori Tambo, Haruto Murakoshi, Hiyori Konno, Yui Yamada, Michio Zhao, Pei Zhao, Xiang Nagase, Shigeru Ehara, Masahiro RSC Adv Chemistry Fine control of the band gap of single-walled carbon nanotubes (SWNTs) has been achieved by the functionalization with dibromoalkanes, namely, 1,3-dibromopropane (1a), 1,4-dibromobutane (1b), 1,5-dibromopentane (1c), and 1,8-bis(bromomethyl)naphthalene (1d). Red-shifted photoluminescence (PL) peaks observed at 1215–1242 nm were assigned to the local band gaps of the chemically functionalized SWNTs 2a, 2b, 2c, and 2d, respectively. Density functional theory (DFT) and time-dependent DFT calculations for 2a–2d suggest that “local strain” induced by cycloaddition plays an important role in tuning the local band gap energies of functionalized SWNTs. The Royal Society of Chemistry 2019-05-08 /pmc/articles/PMC9064015/ /pubmed/35519309 http://dx.doi.org/10.1039/c9ra02183c Text en This journal is © The Royal Society of Chemistry https://creativecommons.org/licenses/by/3.0/
spellingShingle Chemistry
Maeda, Yutaka
Kuroda, Kiyonori
Tambo, Haruto
Murakoshi, Hiyori
Konno, Yui
Yamada, Michio
Zhao, Pei
Zhao, Xiang
Nagase, Shigeru
Ehara, Masahiro
Influence of local strain caused by cycloaddition on the band gap control of functionalized single-walled carbon nanotubes
title Influence of local strain caused by cycloaddition on the band gap control of functionalized single-walled carbon nanotubes
title_full Influence of local strain caused by cycloaddition on the band gap control of functionalized single-walled carbon nanotubes
title_fullStr Influence of local strain caused by cycloaddition on the band gap control of functionalized single-walled carbon nanotubes
title_full_unstemmed Influence of local strain caused by cycloaddition on the band gap control of functionalized single-walled carbon nanotubes
title_short Influence of local strain caused by cycloaddition on the band gap control of functionalized single-walled carbon nanotubes
title_sort influence of local strain caused by cycloaddition on the band gap control of functionalized single-walled carbon nanotubes
topic Chemistry
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9064015/
https://www.ncbi.nlm.nih.gov/pubmed/35519309
http://dx.doi.org/10.1039/c9ra02183c
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