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/

Authors
CHESTERS MA LENNON D ACKERMANN L HABERLEN O KRUGER S ROSCH N
Citation
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
Citations number
38
Categorie Soggetti
Chemistry Physical
Journal title
Surface science → ACNP
ISSN journal
00396028
Volume
291
Issue
1-2
Year of publication
1993
Pages
177 - 184
Database
ISI
SICI code
0039-6028(1993)291:1-2<177:TAOSON>2.0.ZU;2-Q
Abstract
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.