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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...
| Call Number: | Libro Electrónico |
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| Main Author: | |
| Corporate Author: | |
| Format: | Electronic eBook |
| Language: | Inglés |
| Published: |
Berlin, Heidelberg :
Springer Berlin Heidelberg : Imprint: Springer,
2011.
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| Edition: | 1st ed. 2011. |
| Series: | Springer Theses, Recognizing Outstanding Ph.D. Research,
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| Subjects: | |
| Online Access: | Texto Completo |
Table of Contents:
- 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.