Abstract
X-ray photoelectron spectroscopy (XPS) and reflection absorption infrared spectroscopy (RAIRS) have been used to study the structure of molecularly adsorbed ammonia on the ZrB2(0001) surface and its subsequent dissociation. Spectra were obtained as a function of ammonia exposure to the surface at 95 K and as a function of annealing temperature following exposures at 95 and 300 K. The infrared peak positions do not vary with exposure, from the lowest submonolayer coverages to thick multilayers and are at the same values as those of solid ammonia. This indicates that the NH3 molecules have high enough mobility at 95 K to aggregate into hydrogen-bonded clusters with the same structure as that of solid ammonia. The peak positions match those of solid ammonia much better than those calculated for an isolated ammonia molecule adsorbed on top of a Zr atom, which was found to be the most stable binding site. Although aggregation into clusters at low temperatures implies a weak interaction with the substrate, a mi...
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