Get access

The Redox Chemistry of Gold with High-Valence Doped Calcium Oxide

Authors

  • Dr. Jenni Andersin,

    1. Departments of Chemistry and Physics, Nanoscience Center, University of Jyväskylä, Box 35, 40014 Jyväskylä (Finland)
    Search for more papers by this author
  • Janne Nevalaita,

    1. Departments of Chemistry and Physics, Nanoscience Center, University of Jyväskylä, Box 35, 40014 Jyväskylä (Finland)
    Search for more papers by this author
  • Dr. Karoliina Honkala,

    Corresponding author
    1. Departments of Chemistry and Physics, Nanoscience Center, University of Jyväskylä, Box 35, 40014 Jyväskylä (Finland)
    • Departments of Chemistry and Physics, Nanoscience Center, University of Jyväskylä, Box 35, 40014 Jyväskylä (Finland)
    Search for more papers by this author
  • Prof. Dr. Hannu Häkkinen

    1. Departments of Chemistry and Physics, Nanoscience Center, University of Jyväskylä, Box 35, 40014 Jyväskylä (Finland)
    Search for more papers by this author

  • This work was supported by the Academy of Finland. Computer resources were provided by the University of Jyväskylä Nanoscience Center and CSC—the Finnish IT Center for Science. We thank Prof. N. Lopez and Dr. L. Lehtovaara for useful discussions.

Abstract

original image

Red ox power! DFT calculations have been used to analyze the adsorption energy of gold on high-valent doped CaO in terms of iono-covalent, redox, and Coulomb contributions (see picture). Surprisingly, the dominant energy contribution originates from redox processes between the dopant and the adsorbate Au, not from the Coulomb interaction of charged species as currently presumed.

Ancillary