Issue 47, 2016

Conductance and activation energy for electron transport in series and parallel intramolecular circuits

Abstract

We investigate electron transport through series and parallel intramolecular circuits in the framework of the multi-level Redfield theory. Based on the assumption of weak monomer-bath couplings, the simulations depict the length and temperature dependence in six types of intramolecular circuits. In the tunneling regime, we find that the intramolecular circuit rule Image ID:c6cp06362d-t1.gif is only valid in the weak monomer coupling limit. In the thermally activated hopping regime, for circuits based on two different molecular units Ma and Mb with distinct activation energies Eact,a > Eact,b, the activation energies of Ma and Mb in series are nearly the same as Eact,a while those in parallel are nearly the same as Eact,b. This study gives a comprehensive description of electron transport through intramolecular circuits from tunneling to thermally activated hopping. We hope that this work can motivate additional studies to design intramolecular circuits based on different types of building blocks, and to explore the corresponding circuit laws and the length and temperature dependence of conductance.

Graphical abstract: Conductance and activation energy for electron transport in series and parallel intramolecular circuits

Supplementary files

Article information

Article type
Paper
Submitted
15 Sep 2016
Accepted
08 Nov 2016
First published
08 Nov 2016

Phys. Chem. Chem. Phys., 2016,18, 32087-32095

Conductance and activation energy for electron transport in series and parallel intramolecular circuits

L. Hsu, N. Wu and H. Rabitz, Phys. Chem. Chem. Phys., 2016, 18, 32087 DOI: 10.1039/C6CP06362D

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