Abstract
Near edge X-ray absorption fine structure (NEXAFS) measurements of CO on Pd nanoparticles have been simulated. This was achieved by calculating the CO π* resonance signal of CO on a nanoparticle both as a function of the angle of incidence (I vs θ) and the direction of the electric field vector E of the incident photon beam (I vs β), with the nanoparticle defined as a $$\left( {111} \right)$$ top facet with $$\left\{ {111} \right\}$$ and $$\left\{ {100} \right\}$$ side facets. The dependence of the π* resonance intensity signal of CO covered nanoparticles on the particle geometry and orientation as well as the bond orientation of CO is examined. In addition, we compare our simulations to a set of C K-edge NEXAFS experimental data obtained from a single Pd nanoparticle decorated with CO. Our simulation predicts that the nanoparticle has a high lateral aspect ratio of 37.7 ± 4.1.
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