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Vibronic effects in resonant electron transport through single-molecule junctions are analyzed. The study is based on generic models for molecular junctions, which include electronic states on the molecular bridge that are vibrationally…

Mesoscale and Nanoscale Physics · Physics 2011-03-15 R. Härtle , M. Thoss

Achieving highly transmitting molecular junctions through resonant transport at low bias is key to the next-generation low-power molecular devices. Although, resonant transport in molecular junctions was observed by connecting a molecule…

Mesoscale and Nanoscale Physics · Physics 2023-08-09 Biswajit Pabi , Štepán Marek , Adwitiya Pal , Puja Kumari , Soumya Jyoti Ray , Arunabha Thakur , Richard Korytár , Atindra Nath Pal

The realization of molecular-based electronic devices depends to a large extent on the ability to mechanically stabilize the involved molecular bonds, while making use of efficient resonant charge transport through the device. Resonant…

Mesoscale and Nanoscale Physics · Physics 2018-09-11 David Gelbwaser-Klimovsky , Alán Aspuru-Guzik , Michael Thoss , Uri Peskin

Using a first principles approach, we study the electron transport properties of two molecules of length 2.5nm which are the building blocks for a new class of molecular wires containing fluorenone units. We show that the presence of side…

Materials Science · Physics 2009-11-11 Theodoros Papadopoulos , Iain Grace , Colin Lambert

It is often intriguing experimentally to take stock of how conformational changes in the device configuration may impact the overall charge transport behavior of single-molecule junctions. Based on the allied approach of density functional…

Mesoscale and Nanoscale Physics · Physics 2020-02-06 Talem Rebeda Roy , Arijit Sen

We analyze various limits of vibrationally coupled resonant electron transport in single-molecule junctions. Based on a master equation approach, we discuss analytic and numerical results for junctions under a high bias voltage or weak…

Mesoscale and Nanoscale Physics · Physics 2015-03-18 R. Härtle , M. Thoss

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

The effect of vibrational motion on resonant charge transport through single molecule junctions is investigated. The study is based on a combination of first-principles electronic structure calculations to characterize the system and…

Other Condensed Matter · Physics 2007-12-24 Claudia Benesch , Martin Cizek , Jiri Klimes , Michael Thoss , Wolfgang Domcke

We report on inelastic electron tunneling spectroscopy measurements carried out on single molecules incorporated into a mechanically controllable break-junction of Au and Pt electrodes at low temperature. Here we establish a correlation…

Mesoscale and Nanoscale Physics · Physics 2010-11-16 Youngsang Kim , Hyunwook Song , Florian Strigl , Hans-Fridtjof Pernau , Takhee Lee , Elke Scheer

Off-resonant charge transport through molecular junctions has been extensively studied since the advent of single-molecule electronics and it is now well understood within the framework of the non-interacting Landauer approach. Conversely,…

Non-equilibrium Green's functions (NEGF) formalism combined with extended Huckel (EHT) and charging model are used to study electrical conduction through single-molecule junctions. Analyzed molecular complex is composed of asymmetric…

Mesoscale and Nanoscale Physics · Physics 2009-11-11 Kamil Walczak , Sergey Edward Lyshevski

Single-molecule junctions represent electromechanical systems at the edge of device miniaturization. Despite extensive studies on the interplay between mechanical manipulation and electron transport in molecular junctions, a thorough…

We studied the noise spectra of molecule-free and molecule-containing mechanically controllable break junctions. Both types of junctions revealed typical 1/ f noise characteristics at different distances between the contacts with square…

Mesoscale and Nanoscale Physics · Physics 2015-06-05 V. A. Sydoruk , D. Xiang , S. A. Vitusevich , M. V. Petrychuk , A. Vladyka , Y. Zhang , A. Offenhäusser , V. A. Kochelap , A. E. Belyaev , D. Mayer

We investigate the role of electronic-vibrational coupling in resonant electron transport through single-molecule junctions, taking into account that the corresponding coupling strengths may depend on the charge and excitation state of the…

Mesoscale and Nanoscale Physics · Physics 2016-03-23 Andre Erpenbeck , Rainer Härtle , Michel Bockstedte , Michael Thoss

The influence of the charging effects on the transport characteristics of a molecular wire bridging two metallic electrodes in the limit of weak contacts is studied by generalized Breit-Wigner formula. Molecule is modeled as a quantum dot…

Chemical Physics · Physics 2009-11-10 Kamil Walczak

The electrical conductance of molecular junctions may strongly depend on the temperature, and weakly on molecular length, under two distinct mechanisms: phase-coherent resonant conduction, with charges proceeding via delocalized molecular…

Mesoscale and Nanoscale Physics · Physics 2017-12-25 Hyehwang Kim , Dvira Segal

The influence of vibrational motion on electron conduction through single molecules bound to metal electrodes is investigated employing first-principles electronic-structure calculations and projection-operator Green's function methods.…

Mesoscale and Nanoscale Physics · Physics 2009-11-11 C. Benesch , M. Thoss , W. Domcke , M. Cizek

Molecular systems can exhibit a complex, chemically tailorable inner structure which allows for targeting of specific mechanical, electronic and optical properties. At the single-molecule level, two major complementary ways to explore these…

Mesoscale and Nanoscale Physics · Physics 2017-04-05 Rocco Gaudenzi , Maciej Misiorny , Enrique Burzurí , Maarten R. Wegewijs , Herre S. J. van der Zant

We explore electron transport properties for the model of benzene-1, 4-dithiolate (BDT) molecule and for some other geometric models of benzene molecule attached to two semi-infinite one-dimensional metallic electrodes using the Green's…

Mesoscale and Nanoscale Physics · Physics 2010-04-13 Santanu K. Maiti

Using a first principles approach, we study the electron transport properties of a new class of molecular wires containing fluorenone units, whose features open up new possibilities for controlling transport through a single molecule. We…

Mesoscale and Nanoscale Physics · Physics 2007-05-23 C. J. Lambert , I. M. Grace , T. Papadopoulos
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