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- Document type:
- Zeitschriftenaufsatz
- Author(s):
- Schuster, S.; Scarpa, G.; Latessa, L.; Lugli, P.
- Title:
- 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
- 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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