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The measured conductance distribution for single molecule benzenediamine-gold junctions, based on 59,000 individual conductance traces recorded while breaking a gold point contact in solution, has a clear peak at 0.0064 G$_{0}$ with a width…

We measure the conductance of amine-terminated molecules by breaking Au point contacts in a molecular solution at room temperature. We find that the variability of the observed conductance for the diamine molecule-Au junctions is much less…

We analyze the formation and evolution statistics of single molecule junctions bonded to gold electrodes using amine, methyl sulfide and dimethyl phosphine link groups by measuring conductance as a function of junction elongation. For each…

Mesoscale and Nanoscale Physics · Physics 2009-11-13 M. Kamenetska , M. Koentopp , A. C. Whalley , Y. S. Park , M. L. Steigerwald , C. Nuckolls , M. S. Hybertsen , L. Venkataraman

The conductance of a single metal-molecule-metal junction depends critically on the conformations of the molecule. In the simple case of a biphenyl, two phenyl rings linked together by a single C-C bond, the conductance is expected to…

Mesoscale and Nanoscale Physics · Physics 2009-11-11 Latha Venkataraman , Jennifer E. Klare , Colin Nuckolls , Mark S. Hybertsen , Michael L. Steigerwald

The tunneling transport theory developed in Phys. Rev. B {\bf 76}, 115102 (2007) is applied to molecular devices made of alkyl chains linked to gold electrodes via amine groups. Using the analytic expression of the tunneling conductance…

Mesoscale and Nanoscale Physics · Physics 2008-06-27 Emil Prodan , Roberto Car

Devices made of few molecules constitute the miniaturization limit that both inorganic and organic-based electronics aspire to reach. However, integration of millions of molecular junctions with less than 100 molecules each has been a long…

Mesoscale and Nanoscale Physics · Physics 2013-02-11 Kacem Smaali , Nicolas Clement , Gilles Patriarche , Dominique Vuillaume

We measure the low bias conductance of a series of substituted benzene diamine molecules while breaking a gold point contact in a solution of the molecules. Transport through these substituted benzenes is by means of nonresonant tunneling…

Mesoscale and Nanoscale Physics · Physics 2007-05-23 Latha Venkataraman , Young S. Park , Adam C. Whalley Colin Nuckolls , Mark S. Hybertsen , Michael L. Steigerwald

Using first-principles calculations based on density functional theory combined with the non-equilibrium Green's function approach, the transport behaviors of a single-molecule junction formed by benzenedithiol connected to gold electrodes…

Materials Science · Physics 2022-09-20 Rigao Wang , Feng Shuang , Xiaowen Shi , Mingyan Chen

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

The simplicity of single-molecule junctions based on direct bonding of a small molecule between two metallic electrodes make them an ideal system for the study of fundamental questions related to molecular electronics. Here we study the…

Mesoscale and Nanoscale Physics · Physics 2015-05-13 O. Tal , M. Kiguchi , W. H. A. Thijssen , D. Djukic , C. Untiedt , R. H. M. Smit , J. M. van Ruitenbeek

We present a theoretical study of the conductance and thermopower of single-molecule junctions based on C60 and C60-terminated molecules. We first analyze the transport properties of gold-C60-gold junctions and show that these junctions can…

Mesoscale and Nanoscale Physics · Physics 2012-06-08 S. Bilan , L. A. Zotti , F. Pauly , J. C. Cuevas

We measure electronic conductance through single conjugated molecules bonded to Au metal electrodes with direct Au-C covalent bonds using the scanning tunneling microscope based break-junction technique. We start with molecules terminated…

We report the first concurrent determination of conductance (G) and thermopower (S) of single-molecule junctions via direct measurement of electrical and thermoelectric currents using a scanning tunneling microscope-based break-junction…

Mesoscale and Nanoscale Physics · Physics 2012-01-10 J. R. Widawsky , P. Darancet , J. B. Neaton , L. Venkataraman

Amine terminated molecules show well behaved conductance in the scanning tunneling microscope break-junction experimental measurements. We performed density functional theory based electron transport calculations to explain the nature of…

Materials Science · Physics 2007-10-17 Zhenyu Li , D. S. Kosov

The effect of anchoring group on the electrical conductance of a single molecule bridging two Au electrodes was studied using di-substituted (isocyanide (CN-), thiol (S-) or cyanide (NC-)) benzene. The conductance of a single…

Materials Science · Physics 2009-11-11 Manabu Kiguchi , Shinichi Miura , Kenji Hara , Masaya Sawamura , Kei Murakoshi

We present a theoretical study of the transport characteristics of molecular junctions, where first-row diatomic molecules are attached to (001) gold and platinum electrodes. We find that the conductance of all of these junctions is of the…

Mesoscale and Nanoscale Physics · Physics 2015-05-13 J. Ferrer , V. M. Garcia-Suarez

We present an original method to estimate the conductivity of a single molecule anchored to nanometric-sized metallic electrodes, using a Mechanically Controlled Break Junction (MCBJ) operated at room temperature in liquid. We record the…

Mesoscale and Nanoscale Physics · Physics 2018-03-16 M. Gil , T. Malinowski , M. Iazykov , H. Klein

We propose an objective and robust method to extract the electrical conductance of single molecules connected to metal electrodes from a set of measured conductance data. Our method roots in the physics of tunneling and is tested on…

Mesoscale and Nanoscale Physics · Physics 2007-05-23 M. Teresa González , Songmei Wu , Roman Huber , Sense J. van der Molen , Christian Schönenberger , Michel Calame

Electrical conductance through various nanocontacts between gold electrodes is studied by using the density functional theory, scalar-relativistic pseudopotentials, generalized gradient approximation for the exchange-correlation energy and…

Materials Science · Physics 2009-11-13 O. Lopez-Acevedo , D. Koudela , H. Häkkinen

Molecular-scale components are expected to be central to nanoscale electronic devices. While molecular-scale switching has been reported in atomic quantum point contacts, single-molecule junctions provide the additional flexibility of…

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