title: Structure-property relationships: asymmetric alkylphenyl-substituted anthracene molecules for use in small-molecule solar cells.
abstract: 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.
authors.affiliation: POSTECH Organic Electronics Laboratory, Department of Chemical Engineering, Pohang University of Science and Technology, Pohang, 790-784 (Republic of Korea).
authors.forename: Yu Jin
authors.initials: YJ
authors.lastname: Kim
authors.affiliation: Department of Chemistry & Research Institute of Natural Science, Gyeongsang National University, Jin-ju, 660-701 (Republic of Korea).
authors.forename: Eun Soo
authors.initials: ES
authors.lastname: Ahn
authors.affiliation: Department of School of Materials Science & Engineering and Research Institute for Green Energy Convergence Technology (REGET), Gyeongsang National University, Jin-ju, 660-701 (Republic of Korea).
authors.forename: Sang Hun
authors.initials: SH
authors.lastname: Jang
authors.affiliation: POSTECH Organic Electronics Laboratory, Department of Chemical Engineering, Pohang University of Science and Technology, Pohang, 790-784 (Republic of Korea).
authors.forename: Tae Kyu
authors.initials: TK
authors.lastname: An
authors.affiliation: Department of School of Materials Science & Engineering and Research Institute for Green Energy Convergence Technology (REGET), Gyeongsang National University, Jin-ju, 660-701 (Republic of Korea).
authors.forename: Soon-Ki
authors.initials: SK
authors.lastname: Kwon
authors.affiliation: School of Chemical Engineering and Materials Science, Chung-Ang University, Seoul, 156-756 (Republic of Korea). dchung@cau.ac.kr.
authors.forename: Dae Sung
authors.initials: DS
authors.lastname: Chung
authors.affiliation: Department of Chemistry & Research Institute of Natural Science, Gyeongsang National University, Jin-ju, 660-701 (Republic of Korea). ykim@gnu.ac.kr.
authors.forename: Yun-Hi
authors.initials: YH
authors.lastname: Kim
authors.affiliation: POSTECH Organic Electronics Laboratory, Department of Chemical Engineering, Pohang University of Science and Technology, Pohang, 790-784 (Republic of Korea). cep@postech.ac.kr.
authors.forename: Chan Eon
authors.initials: CE
authors.lastname: Park
mesh_terms: D000873:Anthracenes / Q000737:chemistry*; D011211:Electric Power Supplies; D004579:Electron Transport; D008958:Models, Molecular; D008968:Molecular Conformation; D011789:Quantum Theory; D012993:Solar Energy; D013696:Temperature
chemical_list: D000873:Anthracenes; C034020:anthracene
keywords: anthracenes; density functional theory; solar cells; structure-property relationships; substituent effects