Abstract
The activation barrier Δ E ∗ ABfor 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 Δ E ∗ AB = D AB−( Q A + Q B + Q A Q B/( Q A + Q B) where D AB is the gas-phase dissociation energy and Q A (Q B ) is the heat of atomic chemisorption. Estimates of Δ 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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