Energy need in transportation and industry is mainly met by fossil fuels. This causes consumption of resources and some environmental problems. Diesel and gasoline engines are developed to consume fuel efficiently in vehicles. Since these engines work in a low fuel to air ratio, it becomes difficult to reduce nitrogen oxide emission. For this reason NO x storage/reduction (NSR) catalysts have been developed. While engines are operating under lean conditions alkaline or alkaline-earth component of NSR catalysts capture nitrogen oxides and
during fuel rich period stored nitrates are reduced to nitrogen and oxygen gases. To develop this technology, different system parameters, for example system components and reaction environments have been widely investigated experimentally. To supplement the experimental
findings, binding energies and structural properties of NO x on different catalyst components have been investigated theoretically.
It has been experimentally observed that adding TiO2 to other conventional support materials increases resistance against sulfur poisoning, which is one of the main problems concerning NSR catalysts. For this reason, in this thesis (001) and (101) anatase surfaces have been investigated. Moreover, the effects of barium oxide units and layers on the electronic properties of the (001) anatase surface have been studied. To observe the effects of TiO2 as a support component, interactions of NO2 and SO2 on the unsupported and anatase supported (100) BaO surfaces have been compared. A clear increase in sulfur resistance has been observed in the presence of TiO2 in the catalyst under certain conditions.
| Identifer | oai:union.ndltd.org:METU/oai:etd.lib.metu.edu.tr:http://etd.lib.metu.edu.tr/upload/12612432/index.pdf |
| Date | 01 September 2010 |
| Creators | Hummatov, Ruslan |
| Contributors | Toffoli, Hande |
| Publisher | METU |
| Source Sets | Middle East Technical Univ. |
| Language | English |
| Detected Language | English |
| Type | M.S. Thesis |
| Format | text/pdf |
| Rights | To liberate the content for public access |
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