Conductance calculations for real systems on the nanoscale.

نویسندگان

  • Frank Grossmann
  • Rafael Gutiérrez
  • Rüdiger Schmidt
چکیده

Electron transport across molecular junctions is a rapidly growing topic at the borderline between physics and chemistry. We review calculations which were done in the Landauer transport formalism for monovalent systems, ranging from clusters to fullerenes. A realistic description of molecular conductance can be achieved by a density functional based approach to the calculation of the electronic transport properties.

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عنوان ژورنال:
  • Chemphyschem : a European journal of chemical physics and physical chemistry

دوره 3 8  شماره 

صفحات  -

تاریخ انتشار 2002