Sulfur adsorption and reaction with a TiO2(110) surface:: O⇆S exchange and sulfide formation

被引：12

作者：

Hrbek, J ^{[1
]}

Rodriguez, JA ^{[1
]}

Dvorak, J ^{[1
]}

Jirsak, T ^{[1
]}

机构：

[1] Brookhaven Natl Lab, Dept Chem, Upton, NY 11973 USA

来源：

COLLECTION OF CZECHOSLOVAK CHEMICAL COMMUNICATIONS | 2001年 / 66卷 / 08期

关键词：

sulfur; titanium oxide; photoemission spectroscopy; sulfidation; DFT calculations; surface reactions; heterogeneous catalysis;

D O I：

10.1135/cccc20011149

中图分类号：

O6 [化学];

学科分类号：

0703 ;

摘要：

Upon sulfur adsorption on TiO2(110) at 600 K, all surface oxygen is replaced by sulfur. High-resolution photoemission data show a complete loss of oxygen from the surface layer, a large binding energy shift and attenuation of Ti core levels, and the presence of three different S species. The bonding of sulfur is examined using first-principles density-functional calculations and the periodic supercell approach. At saturation the top layer of the oxide surface is converted to sulfide, with the majority of sulfur buckled above the Ti lattice plane and the remaining sulfur bonded in bridging sites. A mechanism for this self-limiting thermodynamically unlikely surface reaction is proposed.

引用

页码：1149 / 1163

页数：15

共 29 条

[1] Small, uniform, and thermally stable silver particles on TiO2(110)-(1x1) [J].