Why Can High Charge-Carrier Mobilities be Achieved Along π-Conjugated Polymer Chains with Alternating Donor–Acceptor Moieties?

Jean Luc Brédas, Yuan Li, Haitao Sun, Cheng Zhong

Research output: Contribution to journalArticlepeer-review

8 Scopus citations

Abstract

Impressive charge-carrier mobilities have been measured over the past few years for a number of well-oriented π-conjugated polymer chains. Intriguingly, these polymers frequently have complex chemical structures consisting of repeat units with alternating electron-rich and electron-poor moieties. A priori, such structures do not lend themselves to the presence of strongly dispersive valence or conduction electronic bands, which are required to achieve small charge-carrier effective masses. Here, the factors that can lead to high carrier mobilities in the tens or even hundreds of square centimeter per volt per second are described briefly.

Original languageEnglish (US)
Article number1800016
JournalAdvanced Theory and Simulations
Volume1
Issue number7
DOIs
StatePublished - Jul 1 2018
Externally publishedYes

Keywords

  • density functional theory (DFT)
  • high charge-carrier mobilities
  • π-conjugated polymer chains

ASJC Scopus subject areas

  • Statistics and Probability
  • Numerical Analysis
  • Modeling and Simulation
  • General

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