Computational Studies of Transition Metal Nanoalloys (Springer Theses) - Hardcover

Borbón, Lauro Oliver Paz

 
9783642180118: Computational Studies of Transition Metal Nanoalloys (Springer Theses)
Hardcover
ISBN 10: 3642180116 ISBN 13: 9783642180118
Verlag: Springer, 2011

Inhaltsangabe

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.

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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.

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Verlag
Springer
Erscheinungsdatum
2011
Sprache
Englisch
ISBN 10 
3642180116
ISBN 13 
9783642180118
Einband
Tapa dura
Anzahl der Seiten
172
Kontakt zum Hersteller
Nicht verfügbar
Verantwortliche Person
CMN Printpool Inh. Mathis Neumann
https://www.also.com/ec/cms5/en_6000/6000/index.jsp

Friedrich-Karl-Str. 9
Hamburg
Deutschland

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9783642267628: Computational Studies of Transition Metal Nanoalloys (Springer Theses)

Vorgestellte Ausgabe

ISBN 10:  3642267629 ISBN 13:  9783642267628
Verlag: Springer, 2013
Softcover