title: 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 is only valid in the weak monomer coupling limit. In the thermally activated hopping regime, for circuits based on two different molecular units Maand Mbwith distinct activation energies Eact,a> Eact,b, the activation energies of Maand Mbin series are nearly the same as Eact,awhile 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.
authors.affiliation: Department of Chemistry, Princeton University, Princeton, New Jersey 08544, USA. lianghsu@princeton.edu hrabitz@princeton.edu.
authors.forename: Liang-Yan
authors.identifier: http://orcid.org/0000-0001-9165-1033
authors.initials: LY
authors.lastname: Hsu
authors.affiliation: Department of Chemistry, Princeton University, Princeton, New Jersey 08544, USA. lianghsu@princeton.edu hrabitz@princeton.edu.
authors.forename: Ning
authors.initials: N
authors.lastname: Wu
authors.affiliation: Department of Chemistry, Princeton University, Princeton, New Jersey 08544, USA. lianghsu@princeton.edu hrabitz@princeton.edu.
authors.forename: Herschel
authors.initials: H
authors.lastname: Rabitz