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Within the framework of nonequilibrium Green's functions, we investigate the thermoelectric transport in a single molecular junction with electron-phonon and electron-electron interactions. By transforming into a displaced phonon basis, we…

Mesoscale and Nanoscale Physics · Physics 2012-04-26 Jie Ren , Jian-Xin Zhu , James E. Gubernatis , Chen Wang , Baowen Li

We discuss the theory of cooling electrons in solid-state devices via ``evaporative emission.'' Our model is based on filtering electron subbands in a quantum-wire device. When incident electrons in a higher-energy subband scatter out of…

Mesoscale and Nanoscale Physics · Physics 2007-05-23 Thushari Jayasekera , Kieran Mullen , Michael A. Morrison

By using nonequilibrium Green's functions and the equation of motion method, we formulate a self-consistent field theory for the electron transport through a single molecular junction (SMJ) coupled with a vibrational mode. We show that the…

Mesoscale and Nanoscale Physics · Physics 2015-09-28 Guo-Hui Ding , Bing Dong

We present an ab-initio method to simulate the current noise in the presence of electron-vibration interactions in atomic and molecular junctions at finite temperature. Using a combination of nonequilibrium Keldysh Green's function…

Mesoscale and Nanoscale Physics · Physics 2020-01-01 S. G. Bahoosh , M. A. Karimi , W. Belzig , E. Scheer , F. Pauly

We review studies of vibrational energy transfer in a molecular junction geometry, consisting of a molecule bridging two heat reservoirs, solids or large chemical compounds. This setup is of interest for applications in molecular…

Mesoscale and Nanoscale Physics · Physics 2016-06-22 Dvira Segal , Bijay Kumar Agarwalla

We study the statistical properties of charge and energy transport in electron conducting junctions with electron-phonon interactions, specifically, the thermoelectric efficiency and its fluctuations. The system comprises donor and acceptor…

Statistical Mechanics · Physics 2016-01-20 Bijay Kumar Agarwalla , Jian-Hua Jiang , Dvira Segal

We carry out experiments on single-molecule junctions at low temperatures, using the mechanically controlled break junction technique. Analyzing the results received with more than ten different molecules the nature of the first peak in the…

Mesoscale and Nanoscale Physics · Physics 2012-03-21 Daniel Secker , Stefan Wagner , Stefan Ballmann , Rainer Härtle , Michael Thoss , Heiko B. Weber

An integrated piecewise thermal equilibrium approach based on the first-principles calculation method has been developed to calculate bias dependent electronic structures and current- and differential conductance-voltage characteristics of…

Other Condensed Matter · Physics 2009-11-13 M. -H. Tsai , T. -H. Lu , Y. -H. Tang

We study vibrational statistics in current-carrying model molecular junctions using master equation approach. Especially, we concentrate on the validity of using an effective temperature $T_{\rm eff}$ to characterize the nonequilibrium…

Mesoscale and Nanoscale Physics · Physics 2020-08-20 Tao Wang , Lei-Lei Nian , Jing-Tao Lü

Electrically connected and plasmonically enhanced molecular junctions combine the optical functionalities of high field confinement and enhancement (cavity function), and of high radiative efficiency (antenna function) with the electrical…

Molecular adsorbates on metal surfaces exchange energy with substrate phonons and low-lying electron-hole pair excitations. In the limit of weak coupling, electron-hole pair excitations can be seen as exerting frictional forces on…

Materials Science · Physics 2016-09-28 Reinhard J. Maurer , Mikhail Askerka , Victor S. Batista , John C. Tully

We propose a mechanism which allows one to control the transmission of single electrons through a molecular junction. The principle utilizes the emergence of transmission sidebands when molecular vibrational modes are coupled to the…

Mesoscale and Nanoscale Physics · Physics 2010-03-26 Thomas Olsen , Jakob Schiøtz

The appealing feature of molecular electronics is the possibility of exploiting functionality built within a single molecule. This functionality can be employed, for example, for sensing or switching purposes. Thus, ideally, the associated…

Molecular electronics is a fascinating area of research with the ability to tune device properties by a chemical tailoring of organic molecules. However, molecular electronics devices often suffer from dispersion and lack of reproducibility…

Mesoscale and Nanoscale Physics · Physics 2013-02-11 Nicolas Clement , David Guerin , Stephane Pleutin , Sylvie Godey , Dominique Vuillaume

We present an opto-electrical cooling scheme for polar molecules based on a Sisyphus-type cooling cycle in suitably tailored electric trapping fields. Dissipation is provided by spontaneous vibrational decay in a closed level scheme found…

Quantum Physics · Physics 2009-10-07 M. Zeppenfeld , M. Motsch , P. W. H. Pinkse , G. Rempe

We consider a molecular junction immersed in a solvent where the electron transfer is dominated by Marcus-type steps. However, the successive nature of the charge transfer through the junction does not imply that the solvent reach thermal…

Statistical Mechanics · Physics 2022-03-23 Henning Kirchberg , Abraham Nitzan

Cooling the rotation and the vibration of molecules by broadband light sources was possible for trapped molecular ions or ultracold molecules. Because of a low power spectral density, the cooling timescale has never fell below than a few…

Atomic Physics · Physics 2018-06-06 A. Cournol , P. Pillet , H. Lignier , D. Comparat

We analyze the fluctuations of an electronic thermal current across an idealized molecular junction. The focus here will be on the spectral features of the resulting heat fluctuations. By use of the Green functionmethod we derive an…

Mesoscale and Nanoscale Physics · Physics 2013-12-02 Fei Zhan , Sergey Denisov , Peter Hänggi

We present a detailed study of the conduction properties of a molecular wire where hopping processes between electronic sites are coupled to a vibrational mode of the molecule. The latter is sandwiched between two electronic leads at finite…

Mesoscale and Nanoscale Physics · Physics 2017-05-24 Simon Pigeon , Lorenzo Fusco , Gabriele De Chiara , Mauro Paternostro

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…

Mesoscale and Nanoscale Physics · Physics 2023-07-26 Martin Cizek , Michael Thoss , Wolfgang Domcke