Fundamental Role of the H-Bond Interaction in the Dissociation of NH3 on Si(001)-(2x1)

Further insight into the dissociative adsorption of NH 3 on Si(001) has been obtained using a combined computational and experimental approach. A novel route leading to the dissociation of the chemisorbed NH 3 is proposed, based on H-bonding interactions between the gas phase and the chemisorbed NH 3 molecules. Our model, complemented by synchrotron radiation photoelectron spectroscopy measurements, demonstrates that the low temperature dissociation of molecular chemisorbed NH 3 is driven by the continuous flux of ammonia molecules from the gas phase