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We theoretically analyzed transport properties of a molecular network constructed of gold nanoparticles linked with oligophenylenevinulene (OPV) molecules. We showed that the conductance of such system was strongly reduced when…

We demonstrate how redox control of intra-molecular quantum interference in phase-coherent molecular wires can be used to enhance the thermopower (Seebeck coefficient) S and thermoelectric figure of merit ZT of single molecules attached to…

Mesoscale and Nanoscale Physics · Physics 2015-09-10 Víctor M. García-Suarez , Colin J. Lambert , David Zs. Manrique , Thomas Wandlowski

We introduce a theoretical approach based on scattering theory and total energy methods that treats transport non-linearities, conformational changes and charging effects in molecular wires in a unified way. We apply this approach to…

Mesoscale and Nanoscale Physics · Physics 2009-11-07 Eldon Emberly , George Kirczenow

Recently, great attention has been paid to the possibility of implementing hybrid electronic devices exploiting the self-assembling properties of single molecules. Impressive progress has been done in this field by using organic molecules…

A minimal model for coherent transport through a donor/acceptor molecular junction is presented. The two donor and acceptor sites are described by single levels energetically separated by an intramolecular tunnel barrier. In the limit of…

Disordered Systems and Neural Networks · Physics 2009-11-11 Florian Pump , Gianaurelio Cuniberti

The convergent interests of different scientific disciplines, from biochemistry to electronics, toward the investigation of protein electrical properties, has promoted the development of a novel bailiwick, the so called proteotronics. The…

Soft Condensed Matter · Physics 2014-05-16 E. Alfinito , L. Reggiani , J. Pousset

Weak interactions form the core basis of a vast number of biological processes, in particular, those involving intrinsically disordered proteins. Here, we establish a new technique capable of probing these weak interactions between…

Biological Physics · Physics 2019-10-02 Indrani Chakraborty , Gil Rahamim , Ram Avinery , Yael Roichman , Roy Beck

We present a simple model of electrical transport through a metal-molecule-metal nanojunction that includes charging effects as well as aspects of the electronic structure of the molecule. The interplay of a large charging energy and an…

Mesoscale and Nanoscale Physics · Physics 2007-05-23 Matthias H. Hettler , Herbert Schoeller , Wolfgang Wenzel

We analyze the effect of an external electric field on the electronic structure of molecules which have been recently studied as molecular wires or diodes. We use a self-consistent tight binding technique which provides results in good…

Computational Physics · Physics 2011-09-12 Christophe Krzeminski , Christophe Delerue , Guy Allan

The transport properties of a octane-dithiol (ODT) molecule coupled to Au(001) leads are analyzed using density functional theory and non-equilibrium Green functions. It is shown that a symmetric molecule can turn into a diode under…

Mesoscale and Nanoscale Physics · Physics 2010-02-09 Tomasz Kostyrko , Víctor M. García-Suárez , Colin J. Lambert , Bogdan R. Bułka

Using a pi-orbital tight-binding model, we study the elastic and photoassisted transport properties of metal-molecule-metal junctions based on oligophenylenes of varying lengths. The effect of monochromatic light is modeled with an ac…

Mesoscale and Nanoscale Physics · Physics 2009-05-24 J. K. Viljas , F. Pauly , J. C. Cuevas

We investigate the possibility of optical current control through single molecules which are weakly coupled to leads. A master equation approach for the transport through a molecule is combined with a Floquet theory for the time-dependent…

Chemical Physics · Physics 2016-09-08 Jörg Lehmann , Sébastien Camalet , Sigmund Kohler , Peter Hänggi

One of the main trend in to date research and development is the miniaturization of electronic devices. In this perspective, integrated nanodevices based on proteins or biomolecules are attracting a major interest. In fact, it has been…

Quantitative Methods · Quantitative Biology 2015-06-26 E. Alfinito , C. Pennetta , L. Reggiani

Recent advances in top-down mass spectrometry enabled identification of intact proteins, but this technology still faces challenges. For example, top-down mass spectrometry suffers from a lack of sensitivity since the ion counts for a…

Quantitative Methods · Quantitative Biology 2017-07-05 Mikhail Kolmogorov , Eamonn Kennedy , Zhuxin Dong , Gregory Timp , Pavel Pevzner

We present a method for controlled connection of gold electrodes with dsDNA molecules (locally on a chip) by utilizing polymerase to elongate single-stranded DNA primers attached to the electrodes. Thiol-modified oligonucleotides are…

Biological Physics · Physics 2011-08-15 Veikko Linko , Jenni Leppiniemi , Boxuan Shen , Einari Niskanen , Vesa P. Hytönen , J. Jussi Toppari

Since the first measurement of electron tunneling through an organic monolayer in 1971,(Mann and Kuhn, 1971) and the gedanken experiment of a molecular current rectifying diode in 1974,(Aviram and Ratner, 1974) molecular-scale electronics…

Mesoscale and Nanoscale Physics · Physics 2010-05-17 D. Vuillaume

We present for the first time a complex network approach to the study of the electrical properties of single protein devices. In particular, we consider an electronic nanobiosensor based on a G-protein coupled receptor. By adopting a coarse…

Molecular Networks · Quantitative Biology 2009-11-10 C. Pennetta , V. Akimov , E. Alfinito , L. Reggiani , G. Gomila

We investigate the thermopower of single molecules weakly coupled to metallic leads. We model the molecule in terms of the relevant electronic orbitals coupled to phonons corresponding to both internal vibrations and to oscillations of the…

Mesoscale and Nanoscale Physics · Physics 2009-09-29 Jens Koch , Felix von Oppen , Yuval Oreg , Eran Sela

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…

We propose a tight-binding model to investigate electronic transport properties of single helical protein molecules incorporating both the helical symmetry and the possibility of multiple charge transfer pathways. Our study reveals that due…

Mesoscale and Nanoscale Physics · Physics 2016-06-10 Sourav Kundu , S. N. Karmakar