title: The Impact of Interlayer Electronic Coupling on Charge Transport in Organic Semiconductors: A Case Study on Titanylphthalocyanine Single Crystals.
abstract: Traditionally, it is believed that three-dimensional transport networks are preferable to those of lower dimensions. We demonstrate that inter-layer electronic couplings may result in a drastic decrease of charge mobilities by utilizing field-effect transistors (FET) based on two phases of titanyl phthalocyanine (TiOPc) crystals. The α-phase crystals with electronic couplings along two dimensions show a maximum mobility up to 26.8 cm(2)  V(-1)  s(-1) . In sharp contrast, the β-phase crystals with extra significant inter-layer electronic couplings show a maximum mobility of only 0.1 cm(2)  V(-1)  s(-1) . Theoretical calculations on the bulk crystals and model slabs reveal that the inter-layer electronic couplings for the β-phase devices will diminish remarkably the device charge transport abilities owing to the coupling direction perpendicular to the current direction. This work provides new insights into the impact of the dimensionality and directionality of the packing arrangements on charge transport in organic semiconductors.
authors.affiliation: Institute of Chemistry, Chinese Academy of Sciences (ICCAS), Beijing, 100190, China.
authors.forename: Zongpeng
authors.initials: Z
authors.lastname: Zhang
authors.affiliation: Cavendish Laboratory, University of Cambridge, JJ Thomson Avenue, Cambridge, CB3 0HE, UK.
authors.forename: Lang
authors.initials: L
authors.lastname: Jiang
authors.affiliation: Department of Chemistry, Tsinghua University, Beijing, 100080, China.
authors.forename: Changli
authors.initials: C
authors.lastname: Cheng
authors.affiliation: Institute of Chemistry, Chinese Academy of Sciences (ICCAS), Beijing, 100190, China. zhenyg@iccas.ac.cn.
authors.forename: Yonggang
authors.initials: Y
authors.lastname: Zhen
authors.affiliation: Institute of Chemistry, Chinese Academy of Sciences (ICCAS), Beijing, 100190, China.
authors.forename: Guangyao
authors.initials: G
authors.lastname: Zhao
authors.affiliation: Institute of Chemistry, Chinese Academy of Sciences (ICCAS), Beijing, 100190, China.
authors.forename: Hua
authors.initials: H
authors.lastname: Geng
authors.affiliation: Institute of Chemistry, Chinese Academy of Sciences (ICCAS), Beijing, 100190, China. ypyi@iccas.ac.cn.
authors.forename: Yuanping
authors.initials: Y
authors.lastname: Yi
authors.affiliation: Advanced Nanomaterials Division, Suzhou Institute of Nano-tech and Nano-bionics, CAS, Suzhou, 215123, China.
authors.forename: Liqiang
authors.initials: L
authors.lastname: Li
authors.affiliation: Institute of Chemistry, Chinese Academy of Sciences (ICCAS), Beijing, 100190, China.
authors.forename: Huanli
authors.initials: H
authors.lastname: Dong
authors.affiliation: Department of Chemistry, Tsinghua University, Beijing, 100080, China.
authors.forename: Zhigang
authors.initials: Z
authors.lastname: Shuai
authors.affiliation: Institute of Chemistry, Chinese Academy of Sciences (ICCAS), Beijing, 100190, China. huwp@iccas.ac.cn.|Key laboratory of Molecular Optoelectronic Sciences, School of Science, Tianjin University & Collaborative Innovation Center of Chemical Science and Engineering, Tianjin, 300072, China. huwp@iccas.ac.cn.
authors.forename: Wenping
authors.initials: W
authors.lastname: Hu
keywords: charge transport; crystal polymorphs; organic semiconductors; phthalocyanine