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Computational Studies of Transition Metal Nanoalloys
Paperback / softback
21 April 2013
$184.00
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Computational Studies of Transition Metal Nanoalloys
$184.00
Description
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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Computer Studies of Phase Transitions and Critical Phenomena
This book is based on research carried out by the author in close collabora tion with a number of colleagues. In particular, I wish to thank Per Bak, A. John Berlinsky, Hans C. Fogedby, Barry Frank,...
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Transition Metal Hydrides
Internationally renowned authors review recent advances in the understanding of the structure and reactivity of transition metal hydrides. This up-to-date analysis of transition metal hydrides...
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Transition Metals in Biochemistry
Transition metal ions in biological systems are of interest in biology, biochemistry, chemistry, medicine, and physics. Scien tists with rather different viewpoints, employing many methods, have...
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