Size dependence of bond length and binding energy in palladium and gold clusters

Sven Krüger, Stefan Vent, Notker Rösch

Research output: Contribution to journalArticlepeer-review

51 Scopus citations

Abstract

All-electron density functional calculations on a series of highly symmetric palladium clusters up to nuclearity 147 yield an essentially linear correlation between the average bond length and the average coordination. The average binding energy per atom is found to be proportional to the inverse cluster radius and thus mainly determined by the decreasing surface to volume ratio. Comparison to recently obtained results for the corresponding series of gold clusters confirms the wider validity of these size dependence relationships.

Original languageEnglish
Pages (from-to)1640-1643
Number of pages4
JournalBerichte der Bunsengesellschaft/Physical Chemistry Chemical Physics
Volume101
Issue number11
DOIs
StatePublished - 1997

Keywords

  • Clusters
  • Density Functional
  • Metals
  • Quantum Chemistry

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