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Structure–Property Relationships: Asymmetric Alkylphenyl‐Substituted Anthracene Molecules for Use in Small‐Molecule Solar Cells
Author(s) -
Kim Yu Jin,
Ahn Eun Soo,
Jang Sang Hun,
An Tae Kyu,
Kwon SoonKi,
Chung Dae Sung,
Kim YunHi,
Park Chan Eon
Publication year - 2015
Publication title -
chemsuschem
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 2.412
H-Index - 157
eISSN - 1864-564X
pISSN - 1864-5631
DOI - 10.1002/cssc.201402994
Subject(s) - coplanarity , anthracene , dihedral angle , crystallization , molecule , differential scanning calorimetry , materials science , crystallography , thiophene , naphthalene , chemistry , photochemistry , organic chemistry , hydrogen bond , thermodynamics , physics , geometry , mathematics
Two asymmetric anthracene‐based organic molecules, NDHPEA and TNDHPEA , were prepared without or with a thiophene spacer between the anthracene and naphthalene units. These asymmetric oligomers displayed different degrees of coplanarity, as evidenced by differences in the dihedral angles calculated by using DFT. Differential scanning calorimetry and XRD studies were used to probe the crystallization characteristics and molecular packing structures in the active layers. The coplanarity of the molecules in the asymmetric structure significantly affected the crystallization behavior and the formation of crystalline domains in the solid state. The small‐molecule crystalline properties were correlated with the device physics by determining the J – V characteristics and hole mobilities of the devices.