Modeling charge transport in C60-based self-assembled monolayers for applications in field-effect transistors
Open Access
- 22 May 2014
- journal article
- conference paper
- Published by AIP Publishing in The Journal of Chemical Physics
- Vol. 140 (20) , 204702
Abstract
We have investigated the conductance properties of C60-containing self-assembled monolayers (SAMs), which are used in organic field-effect transistors, employing a combination of molecular-dynamics simulations, semiempirical electronic structure calculations, and Landauer transport theory. The results reveal the close relation between the transport characteristics and the structural and electronic properties of the SAM. Furthermore, both local pathways of charge transport in the SAMs and the influence of structural fluctuations are analyzed.Keywords
All Related Versions
This publication has 35 references indexed in Scilit:
- Low‐Voltage Self‐Assembled Monolayer Field‐Effect Transistors on Flexible SubstratesAdvanced Materials, 2013
- Improving the Charge Transport in Self-Assembled Monolayer Field-Effect Transistors: From Theory to DevicesJournal of the American Chemical Society, 2013
- Concept of a Molecular Charge Storage Dielectric Layer for Organic Thin‐Film Memory TransistorsAdvanced Materials, 2010
- The local electron affinity for non-minimal basis setsJournal of Molecular Modeling, 2010
- Propagation scheme for nonequilibrium dynamics of electron transport in nanoscale devicesPhysical Review B, 2009
- Gold work function reduction by 2.2eV with an air-stable molecular donor layerApplied Physics Letters, 2008
- Ultralow-power organic complementary circuitsNature, 2007
- Field-induced mobility degradation in pentacene thin-film transistorsOrganic Electronics, 2006
- Development and testing of a general amber force fieldJournal of Computational Chemistry, 2004
- Development and use of quantum mechanical molecular models. 76. AM1: a new general purpose quantum mechanical molecular modelJournal of the American Chemical Society, 1985