Disorder and dephasing effects on electron transport through conjugated molecular wires in molecular junctions
Physical Review B 85, 155327 (2012).
D. Nozaki, C. Gomes Da Rocha, H. M. Pastawski, and G. Cuniberti.
Journal DOI: https://doi.org/10.1103/PhysRevB.85.155327

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.


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©https://doi.org/10.1103/PhysRevB.85.155327
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Disorder and dephasing effects on electron transport through conjugated molecular wires in molecular junctions
Physical Review B 85, 155327 (2012).
D. Nozaki, C. Gomes Da Rocha, H. M. Pastawski, and G. Cuniberti.
Journal DOI: https://doi.org/10.1103/PhysRevB.85.155327

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.


Cover
©https://doi.org/10.1103/PhysRevB.85.155327
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Involved Scientists