Selective dispersion of single-walled carbon nanotubes by binaphthyl-based conjugated polymers: Integrated experimental and simulation approach

Sa Hoon Min, Hye In Kim, Kyung Su Kim, Inhwan Cha, Seonggyun Ha, Wan Soo Yun, Sang Kyu Kwak, Jong Ho Kim, Byeong Su Kim, Changsik Song

Research output: Contribution to journalArticle

4 Citations (Scopus)

Abstract

Hybrids of π-conjugated polymers and single-walled carbon nanotubes (SWNTs) are an intriguing class of materials owing to their interesting electric and optoelectronic properties. Herein, we synthesized three types of 1,1′-binaphthyl-incorporated conjugated polymers with thiophene bridges. It was found that the molecular structure of the π-conjugated polymers affected the selective dispersion of individual SWNT species: the hexyl-substituted PBHT preferred (8,7) SWNT while polymers with no alkyl groups on the thiophenes (PBT and PB2T) preferred (8,6) species. Molecular dynamics (MD) simulations also revealed that the polymers were able to wrap around SWNTs and showed selective interactions with the SWNT species.

Original languageEnglish
Pages (from-to)63-69
Number of pages7
JournalPolymer
Volume96
DOIs
Publication statusPublished - 2016 Jul 25

Fingerprint

Conjugated polymers
Single-walled carbon nanotubes (SWCN)
Thiophenes
Thiophene
Polymers
Optoelectronic devices
Molecular structure
Molecular dynamics
Computer simulation

All Science Journal Classification (ASJC) codes

  • Organic Chemistry
  • Polymers and Plastics

Cite this

Min, Sa Hoon ; Kim, Hye In ; Kim, Kyung Su ; Cha, Inhwan ; Ha, Seonggyun ; Yun, Wan Soo ; Kwak, Sang Kyu ; Kim, Jong Ho ; Kim, Byeong Su ; Song, Changsik. / Selective dispersion of single-walled carbon nanotubes by binaphthyl-based conjugated polymers : Integrated experimental and simulation approach. In: Polymer. 2016 ; Vol. 96. pp. 63-69.
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Selective dispersion of single-walled carbon nanotubes by binaphthyl-based conjugated polymers : Integrated experimental and simulation approach. / Min, Sa Hoon; Kim, Hye In; Kim, Kyung Su; Cha, Inhwan; Ha, Seonggyun; Yun, Wan Soo; Kwak, Sang Kyu; Kim, Jong Ho; Kim, Byeong Su; Song, Changsik.

In: Polymer, Vol. 96, 25.07.2016, p. 63-69.

Research output: Contribution to journalArticle

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T1 - Selective dispersion of single-walled carbon nanotubes by binaphthyl-based conjugated polymers

T2 - Integrated experimental and simulation approach

AU - Min, Sa Hoon

AU - Kim, Hye In

AU - Kim, Kyung Su

AU - Cha, Inhwan

AU - Ha, Seonggyun

AU - Yun, Wan Soo

AU - Kwak, Sang Kyu

AU - Kim, Jong Ho

AU - Kim, Byeong Su

AU - Song, Changsik

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