Thermal behavior and polymorphism of 2,9-didecyldinaphtho[2,3-b:2′,3′-f]thieno[3,2-b] thiophene thin films

Research output: Contribution to journalResearch articleContributedpeer-review

Contributors

Abstract

The ability of numerous organic molecules to adopt different crystal structures without changing their chemical structure is called polymorphism which has gained interest in recent years due to the influence it has on the solid-state properties of organic materials, e.g. charge transport in organic semiconductors. Here we present a new polymorphic crystal structure of the p-type small molecule semiconductor 2,9-didecyldinaphtho[2,3-b:2′,3′-f]thieno[3,2-b]thiophene (C10-DNTT). The polymorphic transition is observed during heating the films over 400 K and investigated by in situ cross-polarized optical microscopy (CPOM) and in situ grazing-incidence wide-angle X-ray scattering (GIWAXS) measurements. From these measurements, we refine the thin-film crystal structure of both the low temperature and high temperature polymorphs. We further analyze the thermal expansion of both polymorphs and perform density-functional theory (DFT) calculations to trace back the anisotropic thermal expansion to anisotropic molecular interactions.

Details

Original languageEnglish
Pages (from-to)507-519
Number of pages13
JournalMolecular Systems Design and Engineering
Volume7
Issue number5
Publication statusPublished - 10 May 2022
Peer-reviewedYes

External IDs

WOS 000764213900001
unpaywall 10.1039/d1me00153a
Mendeley 8764af39-fefe-39fe-92f3-24f83f8aa917

Keywords

DFG Classification of Subject Areas according to Review Boards

Subject groups, research areas, subject areas according to Destatis

Keywords

  • ORGANIC TRANSISTORS, TOTAL-ENERGY, DERIVATIVES, MONOLAYERS, PENTACENE, MOBILITY