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The transport through a quantum-scale device may be characterized by the transmission eigenvalues. These values constitute a junction PIN code where, for example, in single-atom metallic contacts the number of transmission channels is also…

Mesoscale and Nanoscale Physics · Physics 2011-08-01 Justin P. Bergfield , Joshua D. Barr , Charles A. Stafford

We have fabricated a variety of novel molecular tunnel junctions based on self-assembled-monolayers (SAM) of two-component solid-state mixtures of molecular wires (1,4 methane benzene-dithiol; Me-BDT with two thiol anchoring groups), and…

Materials Science · Physics 2009-11-11 Vladimir Burtman , Alexander S. Ndobe , Valy Z. Vardeny

Measurements of the thermal conductance of single-molecule junctions have recently been reported for the first time. It is presently unclear, how much the heat transport can be controlled through molecule-internal effects. The search for…

Mesoscale and Nanoscale Physics · Physics 2025-10-01 Matthias Blaschke , Fabian Pauly

In this paper, equilibrium molecular dynamics simulations were performed on Au-SAM (self-assembly monolayer)-Au junctions. The SAM consisted of alkanedithiol molecules. The out-of-plane (z-direction) thermal conductance and in-plane (x- and…

Mesoscale and Nanoscale Physics · Physics 2011-11-22 Tengfei Luo , John R. Lloyd

We review data analysis techniques that can be used to study temporal correlations among conductance traces in break junction measurements. We show that temporal histograms are a simple but efficient tool to check the temporal homogeneity…

Mesoscale and Nanoscale Physics · Physics 2017-03-08 A. Magyarkuti , K. P. Lauritzen , Z. Balogh , A. Nyáry , G. Mészáros , P. Makk , G. C. Solomon , A. Halbritter

Understanding the impact of lattice imperfections on nanoscale thermal transport is crucial for diverse applications ranging from thermal management to energy conversion. Grain boundaries (GBs) are ubiquitous defects in polycrystalline…

Recent years have shown steady progress in research towards molecular electronics [1,2], where molecules have been investigated as switches [3-5], diodes [6], and electronic mixers [7]. In much of the previous work a Scanning Tunnelling…

Mesoscale and Nanoscale Physics · Physics 2009-11-07 R. H. M. Smit , Y. Noat , C. Untiedt , N. D. Lang , M. van Hemert , J. M. van Ruitenbeek

The proper design and synthesis of molecular junctions for the purpose of establishing percolative networks of conductive nanoparticles represent an opportunity to develop more efficient thermally-conductive nanocomposites, with several…

Step junctions are often present in layered materials, i.e. where single-layer regions meet multi-layer regions, yet their effect on thermal transport is not understood to date. Here, we measure heat flow across graphene junctions (GJs)…

A conducting bridge of a single hydrogen molecule between Pt electrodes is formed in a break junction experiment. It has a conductance near the quantum unit, G_0 = 2e^2/h, carried by a single channel. Using point contact spectroscopy three…

Mesoscale and Nanoscale Physics · Physics 2017-12-11 D. Djukic , K. S. Thygesen , C. Untiedt , R. H. M. Smit , K. W. Jacobsen , J. M. van Ruitenbeek

Electronic conduction through single molecules is affected by the molecular electronic structure as well as by other information that is extremely difficult to assess, such as bonding geometry and chemical environment. The lack of an…

Mesoscale and Nanoscale Physics · Physics 2009-05-21 Daniel R. Ward , Naomi J. Halas , Jacob W. Ciszek , James M. Tour , Yanpeng Wu , Peter Nordlander , Douglas Natelson

We consider a model of a molecular junction made of BDT (benzene dithiol) molecule trapped between two Au(100) leads. Using the ab initio approach implemented in the SIESTA package we look for the optimal configuration of the molecule as a…

Materials Science · Physics 2015-06-25 Victor M. Garcia-Suarez , Tomasz Kostyrko , Steven Bailey , Colin Lambert , Bogdan R. Bulka

We report on measurements of the electrical conductivity in both a 2D triangular lattice of metallic beads and in a chain of beads. The voltage/current characteristics are qualitatively similar in both experiments. At low applied current,…

Other Condensed Matter · Physics 2007-10-16 Mathieu Creyssels , Stéphane Dorbolo , Alexandre Merlen , Claude Laroche , Bernard Castaing , Eric Falcon

Understanding and controlling heat transport in molecular junctions would provide new routes to design nanoscale coupled electronic and phononic devices. Using first principles full quantum calculations, we tune thermal conductance of a…

Mesoscale and Nanoscale Physics · Physics 2015-11-20 Qian Li , Ivan Duchemin , Shiyun Xiong , Gemma C. Solomon , Davide Donadio

Molecules of bisthiolterthiophene have been adsorbed on the two facing gold electrodes of a mechanically controllable break junction in order to form metal-molecule(s)-metal junctions. Current-voltage (I-V) characteristics have been…

Mesoscale and Nanoscale Physics · Physics 2009-10-31 C. Kergueris , J. -P. Bourgoin , S. Palacin , D. Esteve , C. Urbina , M. Magoga , C. Joachim

A surface-adsorbed molecule is contacted with the tip of a scanning tunneling microscope (STM) at a pre-defined atom. On tip retraction, the molecule is peeled off the surface. During this experiment, a two-dimensional differential…

Mesoscale and Nanoscale Physics · Physics 2024-01-30 C. Toher , R. Temirov , A. Greuling , F. Pump , M. Kaczmarski , M. Rohlfing , G. Cuniberti , F. S. Tautz

The electric transport properties of superconducting FeSe0.3Te0.7/Au c-axis (S/N) junctions, fabricated by using Pulsed Laser Deposition technique, have been investigated in the temperature range of 2 K to the superconducting transition…

Superconductivity · Physics 2015-06-15 Y. T. Shen , Y. S. Li , K. C. Lin , M. K. Wu , C. C. Chi

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…

The low conductance of nickel atomic junctions in the hydrogen environment is studied using the nonequilibrium Green's function theory combined with first-principles calculations. The Ni junction bridged by a $H_2$ molecule has a…

Mesoscale and Nanoscale Physics · Physics 2016-12-23 Shuaishuai Li , Yi-Qun Xie , Yibin Hu

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