Conduction mechanisms in biphenyl dithiol single-molecule junctions
نویسندگان
چکیده
منابع مشابه
Conduction mechanisms in biphenyl dithiol single-molecule junctions
M. Bürkle,1,2 J. K. Viljas,3,4 D. Vonlanthen,5 A. Mishchenko,6 G. Schön,1,2,7 M. Mayor,2,5,7,* T. Wandlowski,6,† and F. Pauly1,2,8,‡ 1Institute of Theoretical Solid State Physics, Karlsruhe Institute of Technology, D-76131 Karlsruhe, Germany 2Center for Functional Nanostructures, Karlsruhe Institute of Technology, D-76131 Karlsruhe, Germany 3Low Temperature Laboratory, Aalto University, P.O. Bo...
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F. Pauly,1,2,* J. K. Viljas,1,2 J. C. Cuevas,1,2,3 and Gerd Schön1,2 1Institut für Theoretische Festkörperphysik and DFG-Center for Functional Nanostructures, Universität Karlsruhe, 76128 Karlsruhe, Germany 2Institut für Nanotechnologie, Forschungszentrum Karlsruhe, 76021 Karlsruhe, Germany 3Departamento de Física Teórica de la Materia Condensada, Universidad Autónoma de Madrid, 28049 Madrid, S...
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The influence of vibrational motion on electron conduction through single molecules bound to metal electrodes is investigated employing first-principles electronic-structure calculations and projection-operator Green’s function methods. Considering molecular junctions where a central phenyl ring is coupled via (alkane)thiol-bridges to gold electrodes, it is shown that – depending on the distanc...
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From its very start, one of the most intriguing motivations of molecular electronics is to provide unique and low-cost solutions for electronic functions based on molecules, such as diodes, transistors, switches, and memristors, since molecules are probably the smallest units still capable of offering a rich structural variety. However, the ability to control the conductance of molecules at the...
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The electron-phonon interaction is the dominant mechanism of inelastic scattering in molecular junctions. Here we report on its effect on the thermoelectric properties of single-molecule devices. Using density functional theory and the nonequilibrium Green’s function formalism we calculate the thermoelectric figure of merit for a biphenyl-dithiol molecule between two Al electrodes under an appl...
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ژورنال
عنوان ژورنال: Physical Review B
سال: 2012
ISSN: 1098-0121,1550-235X
DOI: 10.1103/physrevb.85.075417