TY - JOUR
T1 - The adsorption of sulfur on nickel
T2 - an electron energy loss spectroscopy investigation of Ni(110)/c(2×2)S and a LCGTO-LDF cluster model study
AU - Chesters, M. A.
AU - Lennon, D.
AU - Ackermann, L.
AU - Häberlen, O.
AU - Krüger, S.
AU - Rösch, N.
N1 - Funding Information:
We thank M. Pabst for his contributions to an early state of the computations. M.A.C. and D.L. are grateful to the Science and Engineering Research Council for equipment grants and for a research studentship (D.L.). The work of N.R. has been supported by the Deutsche Forschungs-gemeinschaft via SFB 338 and by the Fonds der Chemischen Industrie.
PY - 1993/7/1
Y1 - 1993/7/1
N2 - A c(2×2) sulfur overlayer on Ni(110), produced by adsorption and thermal dissociation of H2S has been investigated with vibrational electron energy loss spectroscopy (EELS) and a feature at 331 cm-1 is assigned as a nickel-sulfur stretch. Also, cluster models of sulfur adsorption 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 absorbate vibrational stretching frequencies are found to be in good agreement with experiment, confirming the experimental assignment of the Ni(110)/S vibrational data.
AB - A c(2×2) sulfur overlayer on Ni(110), produced by adsorption and thermal dissociation of H2S has been investigated with vibrational electron energy loss spectroscopy (EELS) and a feature at 331 cm-1 is assigned as a nickel-sulfur stretch. Also, cluster models of sulfur adsorption 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 absorbate vibrational stretching frequencies are found to be in good agreement with experiment, confirming the experimental assignment of the Ni(110)/S vibrational data.
UR - http://www.scopus.com/inward/record.url?scp=0027625622&partnerID=8YFLogxK
U2 - 10.1016/0039-6028(93)91489-C
DO - 10.1016/0039-6028(93)91489-C
M3 - Article
AN - SCOPUS:0027625622
SN - 0039-6028
VL - 291
SP - 177
EP - 184
JO - Surface Science
JF - Surface Science
IS - 1-2
ER -