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...
Guardat en:
| Autor principal: | |
|---|---|
| Format: | Livre numérique |
| Idioma: | Anglais |
| Publicat: |
Berlin, Heidelberg :
Springer Berlin Heidelberg
[20..].
Cham : Springer Nature |
| Edició: | 1st ed. 2011. |
| Col·lecció: | Springer Theses, Recognizing Outstanding Ph.D. Research
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| Accés en línia: | Accès sur la plateforme de l'éditeur Accès sur la plateforme Istex Accès Université d'Orléans Accès INSA CVL |
| Nota: |
Archives Springer e-books (Licence nationale) Archives Springer e-books (Licence nationale) |
| Autres localisations: | Voir dans le Sudoc |
| Edition sous un autre format: | • Computational Studies of Transition Metal Nanoalloys, Texte imprimé, 9783642180118 • Computational Studies of Transition Metal Nanoalloys, Texte imprimé, 9783642267628 • Computational Studies of Transition Metal Nanoalloys, Texte imprimé, 9783642180132 |
Taula de continguts:
- 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.