Journal
ANGEWANDTE CHEMIE-INTERNATIONAL EDITION
Volume 57, Issue 32, Pages 10112-10117Publisher
WILEY-V C H VERLAG GMBH
DOI: 10.1002/anie.201803363
Keywords
charge transport; intermolecular interactions; organic field-effect transistors; organic single crystals; stacking
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Funding
- Singapore Ministry of Education via AcRF [RG125/4, MOE2014-T2-1-132]
- Ministry of Science and Technology of China [2017YFA0204503, 2016YFB0401100, 2013CB933403, 2013CB933504]
- National Natural Science Foundation of China [51633006, 91222203, 91233205, 91433115]
- Chinese Academy of Sciences [XDB12030300]
- National Research Foundation, Prime Minister's Office, Singapore, under Campus of Research Excellence and Technological Enterprise (CREATE) programme
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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 stackings.
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