Structure and bonding in the ubiquitous icosahedral metallic gold cluster Au 144(SR) 60

Olga Lopez-Acevedo, Jaakko Akola, Robert L. Whetten, Henrik Grönbeck, Hannu Häkkinen

Research output: Contribution to journalArticlepeer-review

359 Scopus citations

Abstract

Density-functional theory computations on a cluster Au 144 (SR) 60 with an icosahedral Au 114 core with 30 RS-Au-SR units protecting its surface yield an excellent fit of the structure factor to the experimental X-ray scattering structure factor measured earlier for 29 kDa thiolate-protected gold clusters. This cluster has a special combination of atomic and electronic structure that provides explanations for the observed stability and capacitive charging properties with several available oxidation states in electrochemistry and optical absorption extending well into the infrared region.

Original languageEnglish (US)
Pages (from-to)5035-5038
Number of pages4
JournalJournal of Physical Chemistry C
Volume113
Issue number13
DOIs
StatePublished - Apr 2 2009
Externally publishedYes

ASJC Scopus subject areas

  • Electronic, Optical and Magnetic Materials
  • Energy(all)
  • Physical and Theoretical Chemistry
  • Surfaces, Coatings and Films

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