Dresden 2003 – wissenschaftliches Programm
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SYCN: Computational nanoscience - from materials to biology
SYCN 102: Computational Nanoscience: From Materials to Biology (Poster, gemeinsam mit SYSE)
SYCN 102.11: Poster
Dienstag, 25. März 2003, 19:00–21:00, ZEU/160
Tuning and contacting metallic nanowires — •Sibylle Gemming1, Michael Weldon1, and Michael Schreiber1,2 — 1Institut für Physik, Technische Universität, D-09107 Chemnitz — 2School of Engineering and Science, International University Bremen, D-28725 Bremen
Biosensors such as arrays of DNA strands have a high potential to monitor even chemical reactions with a rather low reaction enthalpy. For tuning and contacting such DNA arrays gold and gilded silver clusters or rods have been employed successfully. In order to gain a better understanding of the contacts between Ag/Au wires and contacts to biomatter, several two-shell nanowires and contacts to S have been investigated by first-principles density-functional calculations, using the plane-wave band-structure code ABINIT [1]. The surface-crowding effects, which stabilise chiral wires of pure Au [2], are modified by the S adatoms, favouring more crystalline structures. From the present investigation a gold-coated Ag chain would be the best, structurally stable candidate for a DNA microcontact. [1] The ABINIT code is a common project of the Universite Catholique de Louvain, Corning inc., and other contributers. [2] E. Tosatti, S. Prestipino, S. Köstlmeier, A. dal Corso, F. Di Tolla, Science 291 (2001) 288.