Ma. Chesters et al., THE ADSORPTION OF SULFUR ON NICKEL - AN ELECTRON-ENERGY-LOSS SPECTROSCOPY INVESTIGATION OF NI(110) C(2X2)S AND A LCGTO-LDF CLUSTER MODEL STUDY/, Surface science, 291(1-2), 1993, pp. 177-184
A c(2 x 2) sulfur overlayer on Ni(110), produced by adsorption and the
rmal dissociation of H2S has been investigated with vibrational electr
on energy loss spectroscopy (EELS) and a feature at 331 cm-1 is assign
ed as a nickel-sulfur stretch. Also, cluster models of sulfur adsorpti
on at Ni(001), Ni(110) and Ni(111) have been studied using the linear
combination of Gaussian-type orbitals local density functional (LCGTO-
LDF) method. The equilibrium bond distances and the adsorbate vibratio
nal stretching frequencies are found to be in good agreement with expe
riment, confirming the experimental assignment of the Ni(110)/S vibrat
ional data.