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Title:

Charge transport in oligophenylenvinylene molecules

Document type:
Zeitschriftenaufsatz
Author(s):
Schuster, S.; Scarpa, G.; Latessa, L.; Lugli, P.
Abstract:
We have performed a theoretical analysis of current transport in oligophenylenvinylene (OPV) molecules based on the density functional tight-binding (DFTB) method, extended to the non-equilibrium Green's functions (NEGF) for the self- consistent computation of charge density and electronic transport. The results illustrate the importance of molecular features such as thiols bridges and functionalization groups in determining the transport characteristics of single molecules
Journal title:
physica status solidi (c) Volume 5, Issue 1, pages 390–393, January 2008
Journal title abbreviation:
PSS
Year:
2008
Year / month:
2008-01
Quarter:
1. Quartal
Month:
Jan
Pages contribution:
390-393
Language:
en
Fulltext / DOI:
doi:10.1002/pssc.200776567
WWW:
http://onlinelibrary.wiley.com/doi/10.1002/pssc.200776567/abstract
Publisher:
WILEY-VCH Verlag GmbH & Co. KGaA
Format:
Text
Ingested:
24.01.2008
Last change:
24.01.2008
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