Activation of Al2O3 by a Long-Ranged Chemical Bond Mechanism
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 α-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.
Physical Review Letters
- Pub Date:
- March 2008
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