Abstract
We investigated the adsorption and oxidation of n-butane on a stoichiometric RuO2(110) surface using temperature-programmed reaction spectroscopy (TPRS) and density functional theory (DFT) calculations. At low coverage, molecularly adsorbed n-butane achieves a binding energy of ∼100 kJ/mol on RuO2(110), consistent with a strongly bound σ-complex that forms through dative bonding interactions between the n-butane molecule and coordinatively unsaturated (cus) Ru atoms. We find that a fraction of the n-butane reacts with the RuO2 surface during TPRS to produce CO, CO2, and H2O that desorb above ∼400 K and present evidence that adsorbed σ-complexes serve as precursors to the initial C–H bond cleavage and ultimately the oxidation of n-butane on RuO2(110). From measurements of the product yields as a function of surface temperature we estimate that the initial reaction probability of n-butane on RuO2(110) decreases from 9% to ∼4% with increasing surface temperature from 280 to 300 K and show that this temperatu...
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