Computational studies of transition metal nanoalloys [electronic resource] / Lauro Oliver Paz Borbón.
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...
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Full Text (via Springer) |
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| Format: | Thesis Electronic eBook |
| Language: | English |
| Published: |
Berlin ; Heidelberg ; New York :
Springer,
©2011.
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| Series: | Springer theses.
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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.