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Disorder and dephasing effects on electron transport through conjugated molecular wires in molecular junctions

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Nozaki, D., Gomes da Rocha, C., Pastawski, H., & Cuniberti, G. (2012). Disorder and dephasing effects on electron transport through conjugated molecular wires in molecular junctions. Physical Review B, 85, 155327. https://doi.org/10.1103/PhysRevB.85.155327
Published in
Physical Review B
Authors
Nozaki, D. |
Gomes da Rocha, Claudia |
Pastawski, H.M. |
Cuniberti, G.
Date
2012
Discipline
FysiikkaPhysics
Copyright
© 2012 American Physical Society. Published in this repository with the kind permission of the publisher.

 
Understanding electron transport processes in molecular wires connected between contacts is a central focus in the field of molecular electronics. Especially, the dephasing effect causing tunneling-to-hopping transition has great importance from both applications and fundamental points of view. We analyzed coherent and incoherent electron transmission through conjugated molecular wires by means of density functional tight-binding theory within the D’Amato-Pastawski model. Our approach can study explicitly the structure/transport relationship in molecular junctions in a dephasing environmental condition using only a single dephasing parameter. We investigated the length dependence and the influence of thermal fluctuations on transport and reproduced the well-known tunneling-to-hopping transition. This approach will be a powerful tool for the interpretation of recent conductance measurements of molecular wires.
Publisher
American Physical Society
ISSN Search the Publication Forum
1098-0121
Keywords
electronic transport dephasing grafeeni
DOI
https://doi.org/10.1103/PhysRevB.85.155327
URI

http://urn.fi/URN:NBN:fi:jyu-201602081493

Publication in research information system

https://converis.jyu.fi/converis/portal/detail/Publication/22324012

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