Computational Studies of Transition Metal Nanoalloys is popular PDF and ePub book, written by Lauro Oliver Paz Borbón in 2011-04-29, it is a fantastic choice for those who relish reading online the Science genre. Let's immerse ourselves in this engaging Science book by exploring the summary and details provided below. Remember, Computational Studies of Transition Metal Nanoalloys can be Read Online from any device for your convenience.
Computational Studies of Transition Metal Nanoalloys Book PDF Summary
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.
Detail Book of Computational Studies of Transition Metal Nanoalloys PDF
- Author : Lauro Oliver Paz Borbón
- Release : 29 April 2011
- Publisher : Springer Science & Business Media
- ISBN : 9783642180125
- Genre : Science
- Total Page : 162 pages
- Language : English
- PDF File Size : 16,6 Mb
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