P-Tu-BRC-46 Redox Chemistry of a Lewis Acid on High-valence Doped CaO

Tuesday, June 4, 2013
Ballroom C (Galt House Hotel)
Karoliina Honkala, Jenni Andersin, Janne Nevalaita and Hannu Häkkinen, University of Jyväskylä, Finland.
DFT calculations together with the Born-Haber cycle show that
the strong Au adsorption  on the high-valent doped CaO surface originates from redox
processes between the dopant and the adsorbate. From the established correlation between
redox energies and measured third ionization energies of different dopants it is possible to
predict the Au adsorption energies.

Extended Abstracts: