Computational Studies of Transition Metal Nanoalloys (Hardcover, 2011 Ed.)

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.

General

Imprint:	Springer-Verlag
Country of origin:	Germany
Series:	Springer Theses
Release date:	March 2011
First published:	2011
Authors:	Lauro Oliver Paz Borbon
Dimensions:	235 x 155 x 15mm (L x W x T)
Format:	Hardcover
Pages:	156
Edition:	2011 Ed.
ISBN-13:	978-3-642-18011-8
Categories:	Books > Professional & Technical > Industrial chemistry & manufacturing technologies > Metals technology / metallurgy Books > Science & Mathematics > Chemistry > Physical chemistry > Catalysis Books > Science & Mathematics > Chemistry > Physical chemistry > Quantum & theoretical chemistry
LSN:	3-642-18011-6
Barcode:	9783642180118

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