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Dr. Jenni Andersin, Janne Nevalaita, Dr. Karoliina Honkala and Prof. Dr. Hannu Häkkinen The Redox Chemistry of Gold with High-Valence Doped Calcium Oxide Angewandte Chemie International Edition 52

Version of Record online: 12 DEC 2012 | DOI: 10.1002/anie.201208443

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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.

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