Activation of Al2O3 by a long-ranged chemical bond mechanism

Phys Rev Lett. 2008 Mar 21;100(11):116801. doi: 10.1103/PhysRevLett.100.116801. Epub 2008 Mar 19.

Abstract

On the basis of density functional theory calculations, a novel bond mechanism with chemical strength but of long-ranged character is proposed. As compared to adsorption on a sole oxide or metal, the mechanism is found to enhance the bond strength between an adsorbate and an oxide in contact with a metal. As a model system, NO2 adsorption on alpha-Al2O3(0001) either in contact with Ag(111) or small Agn clusters is used. The observed phenomenon rests on charge transfer and modification of the oxide-metal interface. The mechanism is general in nature and the implication for heterogeneous catalysis is discussed.

Publication types

  • Research Support, Non-U.S. Gov't