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Computational Studies of Transition Metal Nanoalloys
The focus of this thesis is the computational modelling of transition metal bimetallic (nanoalloy) clusters. More specifically, the study of Pd-Pt, Ag-Pt, Au-Au and Pd-Au as a few tens of atoms in the gas phase. The author used a combination of global optimization techniques - coupled with a Gupta-t...
| Clasificación: | Libro Electrónico |
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| Autor principal: | |
| Autor Corporativo: | |
| Formato: | Electrónico eBook |
| Idioma: | Inglés |
| Publicado: |
Berlin, Heidelberg :
Springer Berlin Heidelberg : Imprint: Springer,
2011.
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| Edición: | 1st ed. 2011. |
| Colección: | Springer Theses, Recognizing Outstanding Ph.D. Research,
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| Temas: | |
| Acceso en línea: | Texto Completo |
Tabla de Contenidos:
- Introduction
- Theoretical Background and Methodology
- 34-atom Pd-Pt Clusters
- 98 atom Pd-Pt nanoalloys
- 38-atom binary clusters
- Chemical ordering of 34-atom Pd-Pt nanoalloys
- Theoretical study of Pd-Au clusters
- Chemisorption on metal clusters and nanoalloys
- Conclusions and Future Work.