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In a nanoscale molecular junction at finite bias voltage,the intra-molecular distribution of vibrational energy can strongly deviate from the thermal equilibrium distribution and specific vibrational modes can be selectively excited in a…

Mesoscale and Nanoscale Physics · Physics 2015-05-19 Rainer Härtle , Roie Volkovich , Michael Thoss , Uri Peskin

Vibrational modes of molecules are fundamental properties determined by intramolecular bonding, atomic masses, and molecular geometry, and often serve as important channels for dissipation in nanoscale processes. Although single-molecule…

Mesoscale and Nanoscale Physics · Physics 2014-03-06 Y. Li , P. Doak , L. Kronik , J. B. Neaton , D. Natelson

We show that individual vibrational modes in single-molecule junctions with asymmetric molecule-lead coupling can be selectively excited by applying an external bias voltage. Thereby, a non-statistical distribution of vibrational energy can…

Mesoscale and Nanoscale Physics · Physics 2017-09-13 R. Volkovich , R. Härtle , M. Thoss , U. Peskin

In bulk systems, molecules are routinely identified by their vibrational spectrum using Raman or infrared spectroscopy. In recent years, vibrational excitation lines have been observed in low-temperature conductance measurements on single…

Mesoscale and Nanoscale Physics · Physics 2010-02-25 Johannes S. Seldenthuis , Herre S. J. van der Zant , Mark A. Ratner , Joseph M. Thijssen

The influence of multiple vibrational modes on current fluctuations in electron transport through single-molecule junctions is investigated. Our analysis is based on a generic model of a molecular junction, which comprises a single…

Mesoscale and Nanoscale Physics · Physics 2014-09-26 C. Schinabeck , R. Härtle , H. B. Weber , M. Thoss

A general theory of electronic excitations in aggregates of molecules coupled to intramolecular vibrations and the harmonic environment is developed for simulation of the third-order nonlinear spectroscopy signals. The model is applied in…

Chemical Physics · Physics 2014-01-17 Vytautas Butkus , Leonas Valkunas , Darius Abramavicius

We have investigated Au atomic contacts in H$_{2}$ and D$_{2}$ environment by conductance measurement and $dI/dV$ spectroscopy. A single H$_{2}$ or D$_{2}$ molecule was found to bridge Au electrodes. In the case of the Au/H$_{2}$/Au…

Materials Science · Physics 2015-05-14 Manabu Kiguchi , Tomoka Nakazumi , Kunio Hashimoto , Kei Murakoshi

A numerical simulation of vibrational excitation of molecules was devised, and used to excite computational models of common molecules into a prescribed, pure, normal vibration mode in the ground electronic state, with varying, controlable…

Astrophysics · Physics 2009-11-11 Renaud Papoular

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

Experiments studying vibrational effects on electronic transport through single molecules have observed several seemingly inconsistent behaviors, ranging from up to 30 harmonics of a vibrational frequency in one experiment, to an absence of…

Mesoscale and Nanoscale Physics · Physics 2007-05-23 Vivek Aji , J. E. Moore , C. M. Varma

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

We theoretically examine the effect of the coupling of the transport electrons to a vibrational mode of the molecule on the ac linear-response conductance of molecular junctions. Representing the molecule by a single electronic state, we…

Mesoscale and Nanoscale Physics · Physics 2015-05-27 A. Ueda , O. Entin-Wohlman , A. Aharony

The vibrational dynamics of adsorbate molecules in single-molecule junctions depend critically on the geometric structure and electronic interactions between molecule and substrate. Vibrations, excited mechanochemically or by external…

Mesoscale and Nanoscale Physics · Physics 2025-09-17 Lukas Hörmann , Reinhard J. Maurer

The role of multimode vibrational dynamics in electron transport through single molecule junctions is investigated. The study is based on a generic model, which describes charge transport through a single molecule that is attached to metal…

Mesoscale and Nanoscale Physics · Physics 2010-10-26 R. Härtle , C. Benesch , M. Thoss

Vibrational spectroscopy is a ubiquitous technology that derives the species, constituents, and morphology of an object from its natural vibrations. However, the vibrational spectra of mesoscopic particles - including most biological cells…

In the present work, the analytical description of an intermolecular vibrational energy transfer, analyzed by two dimensional infrared spectroscopy, is established. The energy transfer process takes place between the dark combination states…

Chemical Physics · Physics 2013-09-04 Albert A. Villaeys , Kuo Kan Liang

We present a theory of vibrational modulation of two-dimensional coherent Fourier transformed electronic spectra. Based on an expansion of the system's energy gap correlation function in terms of Huang-Rhys factors, we explain the…

Vibronic spectra of molecules are typically described within the Franck-Condon model. Here, we show that highly resolved vibronic spectra of large organic molecules on a single layer of MoS$_{2}$ on Au(111) show spatial variations in their…

Mesoscale and Nanoscale Physics · Physics 2020-03-24 Gaël Reecht , Nils Krane , Christian Lotze , Lei Zhang , Alejandro L. Briseno , Katharina J. Franke

This is the first in a series of two papers investigating the effect of electron-phonon coupling in two-dimensional Fourier transformed electronic spectroscopy. We present a series of one- and two-dimensional nonlinear spectroscopic…

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