skip to main content

SciTech ConnectSciTech Connect

Title: Modeling charge transport in C{sub 60}-based self-assembled monolayers for applications in field-effect transistors

We have investigated the conductance properties of C{sub 60}-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.
Authors:
;  [1] ; ;  [2] ;  [3]
  1. Institute for Theoretical Physics and Interdisciplinary Center for Molecular Materials, University Erlangen-Nürnberg, Staudtstr. 7/B2, D-91058 Erlangen (Germany)
  2. Computer-Chemie-Centrum and Interdisciplinary Center for Molecular Materials, University Erlangen-Nürnberg, Nägelsbachstr. 25, 91052 Erlangen (Germany)
  3. Organic Materials and Devices, Institute of Polymer Materials, Department of Materials Science, University Erlangen-Nürnberg, Martensstr. 7, D-91058 Erlangen (Germany)
Publication Date:
OSTI Identifier:
22304400
Resource Type:
Journal Article
Resource Relation:
Journal Name: Journal of Chemical Physics; Journal Volume: 140; Journal Issue: 20; Other Information: (c) 2014 AIP Publishing LLC; Country of input: International Atomic Energy Agency (IAEA)
Country of Publication:
United States
Language:
English
Subject:
77 NANOSCIENCE AND NANOTECHNOLOGY; 37 INORGANIC, ORGANIC, PHYSICAL AND ANALYTICAL CHEMISTRY; CHARGE TRANSPORT; ELECTRONIC STRUCTURE; FIELD EFFECT TRANSISTORS; FLUCTUATIONS; FULLERENES; MOLECULAR DYNAMICS METHOD; SIMULATION; TRANSPORT THEORY