dorsal/arxiv
View SchemaAdsorption of CO on a Platinum (111) surface - a study within a four-component relativistic density functional approach
| Authors | D. Geschke, T. Bastug, T. Jacob, S. Fritzsche, W. -D. Sepp, B. Fricke |
|---|---|
| Categories | |
| ArXiv ID | physics/0104071 |
| URL | https://arxiv.org/abs/physics/0104071 |
| DOI | 10.1103/PhysRevB.64.235411 |
Abstract
We report on results of a theoretical study of the adsorption process of a single carbon oxide molecule on a Platinum (111) surface. A four-component relativistic density functional method was applied to account for a proper description of the strong relativistic effects. A limited number of atoms in the framework of a cluster approach is used to describe the surface. Different adsorption sites are investigated. We found that CO is preferably adsorbed at the top position.
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"abstract": "We report on results of a theoretical study of the adsorption process of a\nsingle carbon oxide molecule on a Platinum (111) surface. A four-component\nrelativistic density functional method was applied to account for a proper\ndescription of the strong relativistic effects. A limited number of atoms in\nthe framework of a cluster approach is used to describe the surface. Different\nadsorption sites are investigated. We found that CO is preferably adsorbed at\nthe top position.",
"arxiv_id": "physics/0104071",
"authors": [
"D. Geschke",
"T. Bastug",
"T. Jacob",
"S. Fritzsche",
"W. -D. Sepp",
"B. Fricke"
],
"categories": [
"physics.atm-clus"
],
"doi": "10.1103/PhysRevB.64.235411",
"title": "Adsorption of CO on a Platinum (111) surface - a study within a four-component relativistic density functional approach",
"url": "https://arxiv.org/abs/physics/0104071"
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