Abstract

The activation barrier ΔE ∗ AB for dissociation AB→A+B on transition-metal surfaces is analyzed within an additive Morse-type approach based on the bond-order conservation. It is shown that ΔE ∗ AB = D AB -(Q A +Q B )+Q A Q B (Q A +Q B ) , where D AB is the gas dissociation energy and Q A( Q B) is the heat of atomic chemisorption. Estimates of †E ∗ for H 2, N 2, O 2 , and NO are shown to be in reasonable agreement with experiment. The two-dimensional potential diagram of the metal-AB interactions is defined analytically and discussed in some detail.

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