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Computational Studies of Transition Metal Nanoalloys
Lauro Oliver Paz Borbon
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Description for Computational Studies of Transition Metal Nanoalloys
Hardback. This volume explores the computational modelling of transition metal bimetallic (nanoalloy) clusters. The author uses a combination of global optimization techniques and Density Functional Theory (DFT) calculations to study structures, bonding and chemical ordering. Series: Springer Theses. Num Pages: 172 pages, biography. BIC Classification: PNRD; PNRP; TDM. Category: (P) Professional & Vocational. Dimension: 235 x 155 x 15. Weight in Grams: 426.
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 ... Read more
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 ... Read more
Product Details
Format
Hardback
Publication date
2011
Publisher
Springer-Verlag Berlin and Heidelberg GmbH & Co. KG Germany
Number of pages
172
Condition
New
Series
Springer Theses
Number of Pages
156
Place of Publication
Berlin, Germany
ISBN
9783642180118
SKU
V9783642180118
Shipping Time
Usually ships in 15 to 20 working days
Ref
99-15
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