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Wiley, ChemPhysChem, 4(4), p. 388-392, 2003

DOI: 10.1002/cphc.200390068

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Analysis of Scanning Tunneling Spectroscopy Experiments from First Principles: the Test Case of C60 Adsorbed on Au(111)

Journal article published in 2002 by Angel J. Perez-Jimenez ORCID, Ángel J. Pérez‐Jiménez, Juan J. Palacios ORCID, Enrique Louis, Emilio SanFabian, José A. Verges
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This paper is available in a repository.

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Abstract

We report on the first principles determination of the conductance properties of Buckminster fullerene adsorbed on a gold surface, comparing them with recent Scanning Tunneling Microscopy/Spectroscopy (STM/S) experiments [J.Chem.Phys.116, 832 (2002)]. Our procedure has the two appealing features of being able to elucidate delicate aspects of STM/S results without resorting to ad hoc fittings or approximations and to provide a complete description of the phenomena involved when the tip approaches the adsorbate. ; Comment: 24 pages (preprint format), 7 figures