Influence of coadsorbates on the NO dissociation on a rhodium(311) surface.
Density functional theory (DFT) studies were performed to investigate the influence of coadsorbates on the nitrogen oxide dissociation on the vicinal rhodium(311) surface. This study amplifies prior studies on the dissociation of oxygen and nitrogen oxide on the (111) facet of rhodium. The influence...
| Main Authors: | , , , |
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| Format: | Journal article |
| Language: | English |
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2005
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| _version_ | 1826259528199438336 |
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| author | Inderwildi, O Lebiedz, D Deutschmann, O Warnatz, J |
| author_facet | Inderwildi, O Lebiedz, D Deutschmann, O Warnatz, J |
| author_sort | Inderwildi, O |
| collection | OXFORD |
| description | Density functional theory (DFT) studies were performed to investigate the influence of coadsorbates on the nitrogen oxide dissociation on the vicinal rhodium(311) surface. This study amplifies prior studies on the dissociation of oxygen and nitrogen oxide on the (111) facet of rhodium. The influence of coadsorbates on the kinetic parameters and thermochemistry of the NO dissociation on Rh311 was studied. In addition, the activation energy and thermochemistry of this reaction were determined as a function of oxygen preoccupation/initial coverage. Steric and electronic effects and their influence on the dissociation reaction were examined. The results are discussed in the face of an NOx dissociation catalyst system proposed by Nakatsuji. |
| first_indexed | 2024-03-06T18:51:18Z |
| format | Journal article |
| id | oxford-uuid:1053b660-be62-4b9c-a7ff-4ede18704421 |
| institution | University of Oxford |
| language | English |
| last_indexed | 2024-03-06T18:51:18Z |
| publishDate | 2005 |
| record_format | dspace |
| spelling | oxford-uuid:1053b660-be62-4b9c-a7ff-4ede187044212022-03-26T09:55:50ZInfluence of coadsorbates on the NO dissociation on a rhodium(311) surface.Journal articlehttp://purl.org/coar/resource_type/c_dcae04bcuuid:1053b660-be62-4b9c-a7ff-4ede18704421EnglishSymplectic Elements at Oxford2005Inderwildi, OLebiedz, DDeutschmann, OWarnatz, JDensity functional theory (DFT) studies were performed to investigate the influence of coadsorbates on the nitrogen oxide dissociation on the vicinal rhodium(311) surface. This study amplifies prior studies on the dissociation of oxygen and nitrogen oxide on the (111) facet of rhodium. The influence of coadsorbates on the kinetic parameters and thermochemistry of the NO dissociation on Rh311 was studied. In addition, the activation energy and thermochemistry of this reaction were determined as a function of oxygen preoccupation/initial coverage. Steric and electronic effects and their influence on the dissociation reaction were examined. The results are discussed in the face of an NOx dissociation catalyst system proposed by Nakatsuji. |
| spellingShingle | Inderwildi, O Lebiedz, D Deutschmann, O Warnatz, J Influence of coadsorbates on the NO dissociation on a rhodium(311) surface. |
| title | Influence of coadsorbates on the NO dissociation on a rhodium(311) surface. |
| title_full | Influence of coadsorbates on the NO dissociation on a rhodium(311) surface. |
| title_fullStr | Influence of coadsorbates on the NO dissociation on a rhodium(311) surface. |
| title_full_unstemmed | Influence of coadsorbates on the NO dissociation on a rhodium(311) surface. |
| title_short | Influence of coadsorbates on the NO dissociation on a rhodium(311) surface. |
| title_sort | influence of coadsorbates on the no dissociation on a rhodium 311 surface |
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