Sulfur Adsorption and Reaction with a TiO2(110) Surface: O↔S Exchange and Sulfide Formation

[img]PDF - Authorized users only
Language: English
966Kb
Title:Sulfur Adsorption and Reaction with a TiO2(110) Surface: O↔S Exchange and Sulfide Formation
Creators:
Hrbek, Jan
Rodriguez, Jose A.
Dvorak, Joseph
Jirsak, Tomas
Journal or Publication Title:
Collection of Czechoslovak Chemical Communications, 66, 8, pp. 1149-1163
Uncontrolled Keywords:Photoemission spectroscopy, Titanium oxide, Sulfur, Surface reactions, Heterogeneous catalysis, DFT calculations, Sulfidation

Abstract

Upon sulfur adsorption on TiO<sub>2</sub>(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. <p>

Title:Sulfur Adsorption and Reaction with a TiO2(110) Surface: O↔S Exchange and Sulfide Formation
Creators:
Hrbek, Jan
Rodriguez, Jose A.
Dvorak, Joseph
Jirsak, Tomas
Uncontrolled Keywords:Photoemission spectroscopy, Titanium oxide, Sulfur, Surface reactions, Heterogeneous catalysis, DFT calculations, Sulfidation
Divisions:Life and Chemical Sciences > Institute of Organic Chemistry and Biochemistry > Collection of Czechoslovak Chemical Communications
Journal or Publication Title:Collection of Czechoslovak Chemical Communications
Volume:66
Number:8
Page Range:pp. 1149-1163
ISSN:0010-0765
E-ISSN:1212-6950
Publisher:Institute of Organic Chemistry and Biochemistry
Related URLs:
URLURL Type
http://dx.doi.org/10.1135/cccc20011149UNSPECIFIED
ID Code:1848
Item Type:Article
Deposited On:06 Feb 2009 17:13
Last Modified:06 Feb 2009 16:13

Citation

Hrbek, Jan; Rodriguez, Jose A.; Dvorak, Joseph; Jirsak, Tomas (2001) Sulfur Adsorption and Reaction with a TiO2(110) Surface: O↔S Exchange and Sulfide Formation. Collection of Czechoslovak Chemical Communications, 66 (8). pp. 1149-1163. ISSN 0010-0765

Repository Staff Only: item control page