Design principle for increasing charge mobility of π-conjugated polymers using regularly localized molecular orbitals

Jun Terao (), Akihisa Wadahama, Akitoshi Matono, Tomofumi Tada (), Satoshi Watanabe, Shu Seki (), Tetsuaki Fujihara and Yasushi Tsuji
Additional contact information
Jun Terao: Graduate School of Engineering, Kyoto University, Nishikyo-ku, Kyoto 615-8510, Japan
Akihisa Wadahama: Graduate School of Engineering, Kyoto University, Nishikyo-ku, Kyoto 615-8510, Japan
Akitoshi Matono: Graduate School of Engineering, Kyoto University, Nishikyo-ku, Kyoto 615-8510, Japan
Tomofumi Tada: Graduate School of Engineering, University of Tokyo
Satoshi Watanabe: Graduate School of Engineering, University of Tokyo
Shu Seki: Graduate School of Engineering, Osaka University
Tetsuaki Fujihara: Graduate School of Engineering, Kyoto University, Nishikyo-ku, Kyoto 615-8510, Japan
Yasushi Tsuji: Graduate School of Engineering, Kyoto University, Nishikyo-ku, Kyoto 615-8510, Japan

Nature Communications, 2013, vol. 4, issue 1, 1-9

Abstract: Abstract The feasibility of using π-conjugated polymers as next-generation electronic materials is extensively studied; however, their charge mobilities are lower than those of inorganic materials. Here we demonstrate a new design principle for increasing the intramolecular charge mobility of π-conjugated polymers by covering the π-conjugated chain with macrocycles and regularly localizing π-molecular orbitals to realize an ideal orbital alignment for charge hopping. Based on theoretical predictions, insulated wires containing meta-junctioned poly(phenylene–ethynylene) as the backbone units were designed and synthesized. The zigzag wires exhibited higher intramolecular charge mobility than the corresponding linear wires. When the length of the linear region of the zigzag wires was increased to 10 phenylene–ethynylene units, the intramolecular charge mobility increased to 8.5 cm2 V−1 s−1. Theoretical analysis confirmed that this design principle is suitable for obtaining ideal charge mobilities in π-conjugated polymer chains and that it provides the most effective pathways for inter-site hopping processes.

Date: 2013
References: Add references at CitEc
Citations:

Downloads: (external link)
https://www.nature.com/articles/ncomms2707 Abstract (text/html)

Related works:
This item may be available elsewhere in EconPapers: Search for items with the same title.

Export reference: BibTeX RIS (EndNote, ProCite, RefMan) HTML/Text

Persistent link: https://EconPapers.repec.org/RePEc:nat:natcom:v:4:y:2013:i:1:d:10.1038_ncomms2707

Ordering information: This journal article can be ordered from
https://www.nature.com/ncomms/

DOI: 10.1038/ncomms2707

Access Statistics for this article

Nature Communications is currently edited by Nathalie Le Bot, Enda Bergin and Fiona Gillespie

More articles in Nature Communications from Nature
Bibliographic data for series maintained by Sonal Shukla () and Springer Nature Abstracting and Indexing ().