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

被引：17

作者：

CHESTERS, MA ^{[1
]}

LENNON, D ^{[1
]}

ACKERMANN, L ^{[1
]}

HABERLEN, O ^{[1
]}

KRUGER, S ^{[1
]}

ROSCH, N ^{[1
]}

机构：

[1] TECH UNIV MUNICH,LEHRSTUHL THEORET CHEM,W-8046 GARCHING,GERMANY

来源：

SURFACE SCIENCE | 1993年 / 291卷 / 1-2期

关键词：

D O I：

10.1016/0039-6028(93)91489-C

中图分类号：

O64 [物理化学（理论化学）、化学物理学];

学科分类号：

070304 ; 081704 ;

摘要：

A c(2 x 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 adsorbate vibrational stretching frequencies are found to be in good agreement with experiment, confirming the experimental assignment of the Ni(110)/S vibrational data.

引用

页码：177 / 184

页数：8

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