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...
Αποθηκεύτηκε σε:
| Κύριος συγγραφέας: | |
|---|---|
| Μορφή: | Livre numérique |
| Γλώσσα: | Anglais |
| Έκδοση: |
Berlin, Heidelberg :
Springer Berlin Heidelberg
[20..].
Cham : Springer Nature |
| Έκδοση: | 1st ed. 2011. |
| Σειρά: | Springer Theses, Recognizing Outstanding Ph.D. Research
|
| Διαθέσιμο Online: | Accès sur la plateforme de l'éditeur Accès sur la plateforme Istex Accès Université d'Orléans Accès INSA CVL |
| Σημείωση: |
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 |
| LEADER | 03030nam a22003497a 4500 | ||
|---|---|---|---|
| 001 | 968935 | ||
| 008 | 110722q2000 xx ||| |||| 00| 0 eng d | ||
| 009 | PPN153869968 | ||
| 020 | |a 9783642180125 | ||
| 041 | 0 | |a eng | |
| 082 | |a 541.2 | ||
| 100 | 1 | |a Borbón, Lauro Oliver Paz. | |
| 245 | 1 | 0 | |a Computational Studies of Transition Metal Nanoalloys |c by Lauro Oliver Paz Borbón. |
| 250 | |a 1st ed. 2011. | ||
| 260 | |a Berlin, Heidelberg : |b Springer Berlin Heidelberg. | ||
| 260 | |a Cham : |b Springer Nature, |c [20..]. | ||
| 490 | 0 | |a Springer Theses, Recognizing Outstanding Ph.D. Research |x 2190-5061 | |
| 500 | |a Archives Springer e-books (Licence nationale) | ||
| 500 | |a Archives Springer e-books (Licence nationale) | ||
| 505 | 1 | |a 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. | |
| 506 | |a Accès en ligne pour les établissements français bénéficiaires des licences nationales | ||
| 506 | |a Accès soumis à abonnement pour tout autre établissement | ||
| 506 | |a Conditions particulières de réutilisation pour les bénéficiaires des licences nationales. https://www.licencesnationales.fr/springer-nature-ebooks-contrat-licence-ln-2017 | ||
| 520 | |a 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-type empirical many-body potential - and Density Functional Theory (DFT) calculations to study the structures, bonding and chemical ordering, as well as investigate the chemisorptions of hydrogen and carbon monoxide on bimetallic clusters. This research is highly relevant to experimental catalytic studies and has resulted in more than seven publications in international journals. | ||
| 776 | 0 | |t Computational Studies of Transition Metal Nanoalloys |b Texte imprimé |z 9783642180118 | |
| 776 | 0 | |t Computational Studies of Transition Metal Nanoalloys |b Texte imprimé |z 9783642267628 | |
| 776 | 0 | |t Computational Studies of Transition Metal Nanoalloys |b Texte imprimé |z 9783642180132 | |
| 856 | 4 | |q PDF |u https://doi.org/10.1007/978-3-642-18012-5 |z Accès sur la plateforme de l'éditeur | |
| 856 | 4 | |u https://revue-sommaire.istex.fr/ark:/67375/8Q1-QKQKF61S-L |z Accès sur la plateforme Istex | |
| 856 | 4 | |5 452349901:750614862 |u https://ezproxy.univ-orleans.fr/login?url=https://dx.doi.org/10.1007/978-3-642-18012-5 |z Accès Université d'Orléans | |
| 856 | 4 | |5 180339901:753973464 |u https://ezproxy.insa-cvl.fr/login?qurl=https://dx.doi.org/10.1007/978-3-642-18012-5 |z Accès INSA CVL | |
| 997 | |0 968935 |1 Livre numérique |a Ressource numérique |b INSA |b ENSA |c 0/Bibliothèque numérique/ |c 1/Bibliothèque numérique/Autre ressource numérique/ | ||