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In this work we theoretically study steady state thermoelectric transport through a single-molecule junction with a long chain-like bridge. Electron transmission through the system is computed using a tight-binding model for the bridge. We…

Mesoscale and Nanoscale Physics · Physics 2018-03-02 Natalya A. Zimbovskaya , Abraham Nitzan

The interaction between molecular (atomic) electron(s) and the vacuum field of a reflective cavity generates a significant interest thanks to the rapid developments in nanophotonics. Such interaction which lies within the realm of cavity…

Chemical Physics · Physics 2019-05-22 Alexander Semenov , Abraham Nitzan

We explore electron transport properties in a quantum wire attached to two metallic electrodes. A simple tight-binding model is used to describe the system and the coupling of the wire to the electrodes (source and drain) is treated through…

Mesoscale and Nanoscale Physics · Physics 2010-01-10 Santanu K. Maiti

Electron transfer (ET) at molecule-metal or molecule-semiconductor interfaces is a fundamental reaction that underlies all electro-chemical and molecular electronic processes as well as substrate-mediated surface photochemistry. In this…

Chemical Physics · Physics 2023-06-21 Yu Wang , Wenjie Dou

We describe a model of electron transfer reactions affected by local binding to the donor or acceptor sites of a particle in equilibrium with the solution. The statistics of fluctuations of the donor-acceptor energy gap caused by…

Biological Physics · Physics 2007-10-16 Dmitry V. Matyushov

It is shown that at low temperatures and moderate electron dephasing the electron transmission function reveales a structure containing information about donor/acceptor sites effectively participating in the electron transfer (ET) processes…

Biological Physics · Physics 2007-05-23 Natalya A. Zimbovskaya

We theoretically study the single electron transfer through two-terminal quantum ring capacitively coupled to charged dot placed in its center. For this purpose we solve time-dependent Schrodinger equation for fully correlated two-particle…

Mesoscale and Nanoscale Physics · Physics 2015-05-18 T. Chwiej , K. Kutorasinski

The linear transport properties of a model molecular transistor with electron-electron and electron-phonon interactions were investigated analytically and numerically. The model takes into account phonon modulation of the electronic energy…

Mesoscale and Nanoscale Physics · Physics 2007-05-23 P. S. Cornaglia , D. R. Grempel , H. Ness

An analytic approach to the electron transport phenomena in molecular devices is presented. Analyzed devices are composed of organic molecules attached to the two semi-infinite electrodes. Molecular system is described within the…

Mesoscale and Nanoscale Physics · Physics 2007-05-23 Kamil Walczak

We apply a first-principles computational approach to study a light-sensitive molecular switch. The molecule that comprises the switch can convert between a trans and a cis configuration upon photo-excitation. We find that the conductance…

Mesoscale and Nanoscale Physics · Physics 2015-06-18 Chun Zhang , M. -H. Du , H. -P. Cheng , X. -G. Zhang , A. E. Roitberg , J. L. Krause

Redox molecular junctions are molecular conduction junctions that involve more than one oxidation state of the molecular bridge. This property is derived from the ability of the molecule to transiently localize transmitting electrons,…

Mesoscale and Nanoscale Physics · Physics 2013-06-21 Agostino Migliore , Abraham Nitzan

We present data of transport measurements through a metallic nanobridge exhibiting diffusive electron transport. A logarithmic temperature dependence and a zero-bias anomaly in the differential conductance are observed, independent of…

Mesoscale and Nanoscale Physics · Physics 2020-04-20 H. B. Weber , R. Häussler , H. v. Löhneysen , J. Kroha

The multilayer multiconfiguration time-dependent Hartree theory within second quantization representation of the Fock space is applied to study correlated electron transport in models of single-molecule junctions. Extending previous work,…

Mesoscale and Nanoscale Physics · Physics 2015-06-12 Haobin Wang , Michael Thoss

A theory of electronic transport through molecular wires is applied to analyze characteristics of a long-range electron transfer (ET) through molecular bridges in macromolecules with complex donor/acceptor subsystems. Assuming a coherent…

Soft Condensed Matter · Physics 2007-05-23 Natalya A. Zimbovskaya

Electron transport characteristics are investigated through some molecular chains attached to two non-superconducting electrodes by the use of Green's function method. Here we do parametric calculations based on the tight-binding…

Mesoscale and Nanoscale Physics · Physics 2009-07-31 Santanu K. Maiti

The geometry-dependent energy transfer rate from an electrically pumped inorganic semiconductor quantum well into an organic molecular layer is studied theoretically. We focus on F\"orster-type nonradiative excitation transfer between the…

Mesoscale and Nanoscale Physics · Physics 2018-04-20 Judith Specht , Eike Verdenhalven , Björn Bieniek , Patrick Rinke , Andreas Knorr , Marten Richter

Quantum rate theory is based on a first-principle quantum mechanical rate concept that comprises with the Planck-Einstein relationship $E = h\nu$, where $\nu = e^2/hC_q$ is a frequency associated with the quantum capacitance $C_q$ and $E =…

General Physics · Physics 2024-02-23 Paulo Roberto Bueno

The electron transfer in different solvents is investigated for systems consisting of donor, bridge and acceptor. It is assumed that vibrational relaxation is much faster than the electron transfer. Electron transfer rates and final…

Soft Condensed Matter · Physics 2016-09-28 D. Kilin , U. Kleinekathoefer , M. Schreiber

Molecular structures with multiple donor, bridge, or acceptor units can display quantum interference effects that influence electron and energy transfer (ET and EnT) rates. Recent experiments found a 4- to 5-fold increase in ET rates for…

Chemical Physics · Physics 2025-06-27 Hanggai Nuomin , Feng-Feng Song , Peng Zhang , David N. Beratan

We investigate time-dependent electron transfer (ET) in benchmark donor-bridge-acceptor systems. For the small bridge sizes studied, we obtain results far different from the perturbation theory which underlies scattering-based approaches,…

Mesoscale and Nanoscale Physics · Physics 2016-09-23 D. Psiachos