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Charge transport through a flexible molecular junction

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Czechoslovak Journal of Physics Aims and scope

Abstract

Vibrationally inelastic electron transport through a flexible molecular junction is investigated. The study is based on a mechanistic model for a biphenyl molecule between two metal electrodes. Employing methods from electron-molecule scattering theory, which allow a numerically exact treatment, we study the effect of vibrational excitation on the transmission probability for different parameter regimes. The current-voltage characteristic is analyzed for different temperatures, based on a Landauer-type formula. Furthermore, the process of electron assisted tunneling between adjacent wells in the torsional potential of the molecule is discussed and the validity of approximate methods to describe the transmission probability is investigated.

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Authors and Affiliations

  1. Institute of Theoretical Physics, Faculty of Mathematics and Physics, Charles University, V Holeš ovičkách 2, 180 00, Praha 8, Czech Republic

    Martin Čížek

  2. Department of Chemistry, Technical University of Munich, D-85747, Garching, Germany

    Michael Thoss & Wolfgang Domcke

Authors
  1. Martin Čížek
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  2. Michael Thoss
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  3. Wolfgang Domcke
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Additional information

This paper is dedicated to Jiří Horaáček our friend and scientific mentor of one of us (MČ)on the occasion of his sixtieth birthday.

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Čížek, M., Thoss, M. & Domcke, W. Charge transport through a flexible molecular junction. Czech J Phys 55, 189–202 (2005). https://doi.org/10.1007/s10582-005-0030-1

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  • DOI: https://doi.org/10.1007/s10582-005-0030-1

molecular electronics

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