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Title: Hole mobility modulation in single‐crystal metal phthalocyanines by changing the metal–π/π–π interactions
Authors: Jiang, Hui
Hu, Peng
Ye, Jun
Ganguly, Rakesh
Li, Yongxin
Long, Yi
Fichou, Denis
Hu, Wenping
Kloc, Christian
Keywords: Science::Chemistry
Issue Date: 2018
Source: Jiang, H., Hu, P., Ye, J., Ganguly, R., Li, Y., Long, Y., . . . Kloc, C. (2018). Hole mobility modulation in single‐crystal metal phthalocyanines by changing the metal–π/π–π interactions. Angewandte Chemie International Edition, 57(32), 10112-10117. doi:10.1002/anie.201803363
Journal: Angewandte Chemie International Edition
Abstract: Weak intermolecular interactions in organic semiconducting molecular crystals play an important role in determining molecular packing and electronic properties. Single crystals of metal‐free and metal phthalocyanines were synthesized to investigate how the coordination of the central metal atom affects their molecular packing and resultant electronic properties. Single‐crystal field‐effect transistors were made and showed a hole mobility order of ZnPc>MnPc>FePc>CoPc>CuPc>H2Pc>NiPc. Density functional theory (DFT) and 1D polaron transport theory reach a good agreement in reproducing the experimentally measured trend for hole mobility. Additional detail analysis at the DFT level suggests the metal atom coordination into H2Pc planes can tune the hole mobility via adjusting the intermolecular distances along the shortest axis with closest parallel π stackings.
ISSN: 1433-7851
DOI: 10.1002/anie.201803363
Rights: © 2018 Wiley-VCH Verlag GmbH & Co. KGaA, Weinheim. All rights reserved.
Fulltext Permission: none
Fulltext Availability: No Fulltext
Appears in Collections:SPMS Journal Articles

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