Multiscale Modeling of the Electrostatic Impact of Self-Assembled Monolayers used as Gate Dielectric Treatment in Organic Thin-Film Transistors

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• 作者：Alexander Mityashin ; Otello Maria Roscioni ; Luca Muccioli ; Claudio Zannoni ; Victor Geskin ; J茅r么me Cornil ; Dimitri Janssen ; Soeren Steudel ; Jan Genoe ; Paul Heremans
• 刊名：ACS Applied Materials & Interfaces
• 出版年：2014
• 出版时间：September 10, 2014
• 年：2014
• 卷：6
• 期：17
• 页码：15372-15378
• 全文大小：388K
• ISSN：1944-8252

文摘

This study sheds light on the microscopic mechanisms by which self-assembled monolayers (SAMs) determine the onset voltage in organic thin-film transistors (OTFTs). Experiments and modeling are combined to investigate the self-assembly and electrostatic interaction processes in prototypical OTFT structures (SiO₂/SAM/pentacene), where alkylated and fluoroalkylated silane SAMs are compared. The results highlight the coverage-dependent impact of the SAM on the density of semiconductor states and enable the rationalization and the control of the OTFT characteristics.

Keywords:

pentacene; electrostatic disorder; onset voltage; molecular dynamics; microelectrostatic model; coverage