2017-Sustainable Industrial Processing Summit
SIPS 2017 Volume 5. Marquis Intl. Symp. / New and Advanced Materials and Technologies
| Editors: | Kongoli F, Marquis F, Chikhradze N |
| Publisher: | Flogen Star OUTREACH |
| Publication Year: | 2017 |
| Pages: | 590 pages |
| ISBN: | 978-1-987820-69-0 |
| ISSN: | 2291-1227 (Metals and Materials Processing in a Clean Environment Series) |
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Adsorption of SO2 on the TiO2 Rutile (110) Surface From First Principles
Thorsten Kluener1; Thomas Teusch2;1UNIVERSITY OF OLDENBURG, Oldenburg, Germany (Deutschland); 2, , ;
Type of Paper: Keynote
Id Paper: 205
Topic: 43
Abstract:
The sulfur dioxide (SO2) adsorption on the perfect TiO2 (110) rutile surface has been investigated by performing density functional theory (DFT) calculations with the PBE0 functional with periodic boundary conditions. We determine four stable adsorption geometries indicating different SOx-like species (SO2, SO3 and SO4), which are in agreement with various experimental examinations.
Keywords:
Energy; Hydrogen production;References:
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