High carrier mobility polythiophene thin films: Structure determination by experiment and theory

Dean M. DeLongchamp*, R. Joseph Kline, Eric K. Lin, Daniel A. Fischer, Lee J. Richter, Leah A. Lucas, Martin Heeney, Iain Mcculloch, John E. Northrup

*Corresponding author for this work

Research output: Contribution to journalArticlepeer-review

254 Scopus citations

Abstract

The conjugated planes of poly(2,5-bis(3-alkythiophene-2yl) thieno[3,2-b] thio-phenes)(pBTTT) substantially tilt within their crystalline lamellae were studied using density functional theory (DFT). First-principles total energy calculations of the pBTTT backbone showed that tilting of the conjugated plane was energetically favorable. Conjugated-plane orientation was measured using near edge X-ray absorption fine structure (NEXAFS) spectroscopy. AFM microscopy image and SE dielectric function for pBTTT films with tetradecyl side chains (pBTTT-C14) indicated a single type comprehensive crystalinity. The DFT calculations indicate that tilt of the conjugated plane is common feature in alkyl-functionalized thiophene polymers. The experimental verification of conjugated-plane tilt, made possible by the highly crystal pBTTT-C14, supports the validity of the calculations and indicates that πstacking slip is an important structural feature for polymer semiconductors.

Original languageEnglish (US)
Pages (from-to)833-837
Number of pages5
JournalAdvanced Materials
Volume19
Issue number6
DOIs
StatePublished - Mar 19 2007

ASJC Scopus subject areas

  • Materials Science(all)
  • Mechanics of Materials
  • Mechanical Engineering

Fingerprint

Dive into the research topics of 'High carrier mobility polythiophene thin films: Structure determination by experiment and theory'. Together they form a unique fingerprint.

Cite this