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Dokumenttyp:
Zeitschriftenaufsatz
Autor(en):
Schuster, S.; Scarpa, G.; Latessa, L.; Lugli, P.
Titel:
Charge transport in oligophenylenvinylene molecules
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
Zeitschriftentitel:
physica status solidi (c) Volume 5, Issue 1, pages 390–393, January 2008
Zeitschriftentitel:
PSS
Jahr:
2008
Jahr / Monat:
2008-01
Quartal:
1. Quartal
Monat:
Jan
Seitenangaben Beitrag:
390-393
Sprache:
en
Volltext / DOI:
doi:10.1002/pssc.200776567
WWW:
http://onlinelibrary.wiley.com/doi/10.1002/pssc.200776567/abstract
Verlag / Institution:
WILEY-VCH Verlag GmbH & Co. KGaA
Format:
Text
Eingabe:
24.01.2008
Letzte Änderung:
24.01.2008
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