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We calculate non-perturbatively the inelastic effects on the conductance through a conjugated molecular wire-metal heterojunction, including realistic electron-phonon coupling. We show that at sub-band-gap energies the current is dominated…

Materials Science · Physics 2009-10-31 H. Ness , A. J. Fisher

Effect of contact interfaces, between metallic single-wall carbon nanotubes (SWCNT) and external electrodes made also of nanotubes, on the electrical conductance is studied. A tight-binding model with both diagonal and off-diagonal…

Mesoscale and Nanoscale Physics · Physics 2015-06-24 S. Krompiewski

In this paper, we develop a theory of edge effects in graphene for its applications to nanoantennas in the terahertz, infrared, and visible frequency ranges. Its characteristic feature is selfconsistence reached due the formulation in terms…

Mesoscale and Nanoscale Physics · Physics 2023-05-26 Tomer Berghaus , Touvia Miloh , Oded Gottlieb , Gregory Slepyan

Transparent and conductive films (TCFs) are of great technological importance. The high transmittance, electrical conductivity and mechanical strength make single-walled carbon nanotubes (SWCNTs) a good candidate for their raw material.…

Multiwalled carbon nanotubes are shown to be ballistic conductors at room temperature, with mean free paths of the order of tens of microns. These experiments follow and extend the original experiments by Frank et al (Science, 280 1744…

Materials Science · Physics 2007-05-23 Philippe Poncharal , Claire Berger , Yan Yi , Z. L. Wang , Walt A. de Heer

We present analytical model and molecular dynamics simulations of phonon heat transport in nanowires and nanoribbons with anharmonic lattices and dynamically rough surfaces and edges. In agreement with recent experiments on heat transport…

Statistical Mechanics · Physics 2011-12-30 Yuriy A. Kosevich , Alexander V. Savin

The cohesion and conductance of a point contact in a two-dimensional metallic nanowire are investigated in an independent-electron model with hard-wall boundary conditions. All properties of the nanowire are related to the Green's function…

Mesoscale and Nanoscale Physics · Physics 2007-05-23 J. Burki , C. A. Stafford , X. Zotos , D. Baeriswyl

A brief review of the nanoscale free-electron model of metal nanowires is presented. This continuum description of metal nanostructures allows for a unified treatment of cohesive and conducting properties. Conductance channels act as…

Mesoscale and Nanoscale Physics · Physics 2010-06-22 D. F. Urban , J. Bürki , C. A. Stafford , Hermann Grabert

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

This paper extends the modern theory of tunneling transport to finite temperatures. The extension enables applications to molecular electronic devices connected to semiconducting leads. The paper presents an application of the theory to…

Mesoscale and Nanoscale Physics · Physics 2010-02-08 Emil Prodan , Amy LeVee

In this paper, we investigate, by molecular dynamics simulations, the mechanical properties of a new carbon nanostructure, termed graphene nanochain, constructed by sewing up pristine or twisted graphene nanoribbons (GNRs) and interlocking…

Materials Science · Physics 2013-11-26 Yongping Zheng , Lanqing Xu , Zheyong Fan , Ning Wei , Zhigao Huang

We study theoretically the length dependence of both conductance and thermopower in metal-molecule-metal junctions made up of dithiolated oligophenylenes contacted to gold electrodes. We find that while the conductance decays exponentially…

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

As the dimensions of a conductor approach the nano-scale, quantum effects will begin to dominate its behavior. This entails the exciting possibility of controlling the conductance of a device by direct manipulation of the electron wave…

We discuss the conductance of a molecular bridge between mesoscopic electrodes supporting low-dimensional transport and bearing an internal structure. As an example for such nanoelectrodes we assume semi-infinite (carbon) nanotubes. In the…

Mesoscale and Nanoscale Physics · Physics 2007-05-23 G. Fagas , G. Cuniberti , K. Richter

A novel nanoelectronic device is constructed by graphyne that is robustly connected between graphene electrodes, where graphyne is composed of hexagonal carbon rings and carbon chains. Owing to similarities between the bond lengths and unit…

Mesoscale and Nanoscale Physics · Physics 2013-07-17 Young I. Jhon , Myung S. Jhon

This mini review focuses on conductance measurements through molecular junctions containing few tens of molecules, which are fabricated along two approaches: (i) conducting atomic force microscope contacting a self-assembled monolayers on…

Applied Physics · Physics 2019-11-12 Dominique Vuillaume

We consider electrons in tubular nanowires with prismatic geometry and infinite length. Such a model corresponds to a core-shell nanowire with an insulating core and a conductive shell. In a prismatic shell the lowest energy states are…

Mesoscale and Nanoscale Physics · Physics 2018-08-22 Miguel Urbaneja Torres , Anna Sitek , Sigurdur I. Erlingsson , Gunnar Thorgilsson , Vidar Gudmundsson , Andrei Manolescu

We theoretically study the interplay between electrical and mechanical properties of suspended, doubly clamped carbon nanotubes in which charging effects dominate. In this geometry, the capacitance between the nanotube and the gate(s)…

Mesoscale and Nanoscale Physics · Physics 2009-11-07 S. Sapmaz , Ya. M. Blanter , L. Gurevich , H. S. J. van der Zant

Nanopores made with low dimensional semiconducting materials, such as carbon nanotubes and graphene slit pores, are used in supercapacitors. In theories and simulations of their operation, it is often assumed that such pores screen ion-ion…

Materials Science · Physics 2017-01-24 Alpha A. Lee , Dominic Vella , Alain Goriely

With the ability to selectively control ionic flux, biological protein ion channels perform a fundamental role in many physiological processes. For practical applications that require the functionality of a biological ion channel, graphene…

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