TY - JOUR
T1 - Thermal behavior and polymorphism of 2,9-didecyldinaphtho[2,3-b:2′,3′-f]thieno[3,2-b]thiophene thin films
AU - Talnack, Felix
AU - Hutsch, Sebastian
AU - Bretschneider, Michael
AU - Krupskaya, Yulia
AU - Büchner, Bernd
AU - Malfois, Marc
AU - Hambsch, Mike
AU - Ortmann, Frank
AU - Mannsfeld, Stefan C.B.
N1 - Publisher Copyright:
© 2022 The Royal Society of Chemistry.
PY - 2022/1/31
Y1 - 2022/1/31
N2 - 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.
AB - 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.
UR - http://www.scopus.com/inward/record.url?scp=85126945705&partnerID=8YFLogxK
U2 - 10.1039/d1me00153a
DO - 10.1039/d1me00153a
M3 - Article
AN - SCOPUS:85126945705
SN - 2058-9689
VL - 7
SP - 507
EP - 519
JO - Molecular Systems Design and Engineering
JF - Molecular Systems Design and Engineering
IS - 5
ER -