Theoretical Simulations of Reactive and Nonreactive Scattering of Light Diatomic Molecules from Metal Surfaces: Past, Present, and Future
Figure 16
(a) dissociative adsorption probability of H2 as a function of the incidence energy. (b) in-plane and out-of-plane (see Figure 8) diffraction spectra for an incidence energy = 0.075 eV and . Raw data have been convoluted using a Gaussian function of width , and the peaks have been normalized to the specular peak for H2/CuRu(0001). (c) diffraction probabilities as a function of the diffraction order—defined by concentric hexagons built around the specular peak; peaks lying on the same hexagon belong to the same order (see Figure 8). Solid black bars: CuRu(0001); dashed red bar: Ru(0001); dotted bars: Cu(111).
