D. Wetzig et al., ROTATIONAL-DYNAMICS IN ASSOCIATIVE DESORPTION OF HYDROGEN FROM PD(100) AND CU(111) SURFACES, Physica status solidi. a, Applied research, 159(1), 1997, pp. 263-274
The rotational dynamics in associative desorption of hydrogen from an
s-metal and a transition metal surface is state-selectively investigat
ed by resonantly enhanced two-photon ionization and by laser induced f
luorescence. From these measurements rotational state populations, sta
te-selective velocity distributions, and the spatial alignment of the
rotational angular momentum can be deduced. Recently, fully six-dimens
ional potential energy surfaces (PES) have been developed for this rea
ction on both substrates which allow quantum mechanical simulations of
the dynamics. First calculations provide a comparison with the experi
mental data. The different chemical nature of palladium and copper is
reflected in the rotational state population, the coupling of rotation
to other degrees of freedom, and the spatial alignment of the rotatio
n. For Pd(100) good agreement between theory and experiment is obtaine
d, while for Cu(lll) the experimental data suggest that the azimuthal
corrugation is significantly higher than assumed in the calculations.