Berlin 2008 – scientific programme

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CPP: Fachverband Chemische Physik und Polymerphysik

CPP 34: POSTERS Polymerphysics

CPP 34.41: Poster

Thursday, February 28, 2008, 17:00–19:30, Poster A

Theoretical study of electron transfer through polyacetylene nanowires in different contact structures — •Davoud Pouladsaz¹, Saeideh Mohammadzadeh², Thomas Geßner², Michael Schreiber¹, and Reinhard Streiter² — ¹Institut für Physik, Technische Universität Chemnitz — ²Zentrum für Mikrotechnologien, Technische Universität Chemnitz

The electron transfer of polyacetylene nanowires is studied by employing the non-equilibrium Green function’s technique within the density-functional-based tight-binding method. The conductance of trans-polyacetylene molecules, sandwiched between Au(111) surfaces in three different contact structures, is calculated for various lengths. As well, the dependence of the conductance oscillations on the length of the molecules is investigated.