Structural and charge-transport properties of a liquid-crystalline α,ω-disubstituted thiophene derivative: A joint experimental and theoretical study

Vincent Lemaur, Saïd Bouzakraoui, Yoann Olivier, Patrick Brocorens, Cédric Burhin, Jamila El Beghdadi, Ana Martin-Hoyas, Alain M. Jonas, Dana Alina Serban, Alexandru Vlad, Nicolas Boucher, Julie Leroy, Michele Sferrazza, Pierre Olivier Mouthuy, Sorin Melinte, Sergey Sergeev, Yves Geerts, Roberto Lazzaroni, Jérôme Cornil, Bernard Nysten

Research output: Contribution to journalArticlepeer-review

Abstract

We present a joint experimental and theoretical study of the structural and charge-transport properties of a liquid-crystalline α,ω- disubstituted oligothiophene derivative for application in organic field-effect transistors. The structural properties of the crystalline and smectic phases are investigated by atomic force microscopy, X-ray reflectometry, and X-ray diffraction. To complement these data, molecular mechanics calculations together with the simulation of X-ray diffraction spectra were performed to determine the relative positions of the molecules in the unit cell. The electrical characteristics of field-effect transistors based on the oligothiophene derivative were measured and compared in the crystalline and smectic phases. Although the silanation of the SiO2 gate dielectric promoted a marked improvement in the charge-carrier mobilities in the crystalline phase, the expected suppression of grain boundaries in the liquid-crystalline phase was not unambiguously evidenced. The experimental results were further complemented by a detailed theoretical analysis of the electronic couplings governing the charge-transport properties on the molecular scale.

Original languageEnglish
Pages (from-to)4617-4627
Number of pages11
JournalJournal of Physical Chemistry C
Volume114
Issue number10
DOIs
Publication statusPublished - 18 Mar 2010
Externally publishedYes

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