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|Title:||MORPHOLOGY EVOLUTION CONTROL IN FLUORENE-BASED SEMICONDUCTOR HETEROJUNCTIONS BY SPECTATOR IONS AND INTERFACE-MODULATING PHASES||Authors:||LI MEILIN||ORCID iD:||orcid.org/0000-0002-6051-309X||Keywords:||MOLECULAR DYNAMICS, COMPUTATIONAL SIMULATION, ORGANIC SEMICONDUCTOR, MORPHOLOGY EVOLUTION, ORGANIC PHOTOVOLTAIC, OLED, HETEROJUNCTION||Issue Date:||28-Jul-2017||Citation:||LI MEILIN (2017-07-28). MORPHOLOGY EVOLUTION CONTROL IN FLUORENE-BASED SEMICONDUCTOR HETEROJUNCTIONS BY SPECTATOR IONS AND INTERFACE-MODULATING PHASES. ScholarBank@NUS Repository.||Abstract:||Polyfluorene-based F8BT and PFB have been extensively investigated because of their excellent charge carrier mobilities. As an interfacial layer, conjugated polyelectrolyte (CPE) F(NSO3)2 was reported to further improve charge carrier separation properties of model optoelectronic devices, due to the existing internal dipole moment. Molecular dynamics (MD) simulations were applied to understand the influence of bulk and interfacial structures on charge carrier transport in the tri-layer system. Coarse-grained forcefield was built to efficiently study the interface structures of PFB/F(NSO3)2/F8BT. MD simulations and experiments were performed to investigate the ionic aggregation in a related but sulfonated CPE, TFB-F3SO3-cation system, and its influence as interfacial layer on the charge transport properties of model OLED devices.||URI:||http://scholarbank.nus.edu.sg/handle/10635/138405|
|Appears in Collections:||Ph.D Theses (Open)|
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