Binding at molecule/gold transport interfaces. I. Geometry and bonding

Harold Basch, Mark A Ratner

Research output: Contribution to journalArticle

69 Citations (Scopus)

Abstract

A series of cluster-complexes of the form cluster-molecule-cluster was examined using the DFT-SCF method. The objective was to characterize the cluster-molecule-cluster systems in terms of their geometrical and electronic structural properties. The resultant data were analyzed in detail.

Original languageEnglish
Pages (from-to)11926-11942
Number of pages17
JournalJournal of Chemical Physics
Volume119
Issue number22
DOIs
Publication statusPublished - Dec 8 2003

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Gold
gold
Molecules
Geometry
geometry
Discrete Fourier transforms
Structural properties
molecules
self consistent fields
electronics

ASJC Scopus subject areas

  • Atomic and Molecular Physics, and Optics

Cite this

Binding at molecule/gold transport interfaces. I. Geometry and bonding. / Basch, Harold; Ratner, Mark A.

In: Journal of Chemical Physics, Vol. 119, No. 22, 08.12.2003, p. 11926-11942.

Research output: Contribution to journalArticle

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