000 -LEADER |
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02355nam a22004335i 4500 |
003 - CONTROL NUMBER IDENTIFIER |
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OSt |
005 - DATE AND TIME OF LATEST TRANSACTION |
control field |
20140310153330.0 |
007 - PHYSICAL DESCRIPTION FIXED FIELD--GENERAL INFORMATION |
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cr nn 008mamaa |
008 - FIXED-LENGTH DATA ELEMENTS--GENERAL INFORMATION |
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110428s2011 gw | s |||| 0|eng d |
020 ## - INTERNATIONAL STANDARD BOOK NUMBER |
International Standard Book Number |
9783642180125 |
|
978-3-642-18012-5 |
050 #4 - LIBRARY OF CONGRESS CALL NUMBER |
Classification number |
QD450-801 |
082 04 - DEWEY DECIMAL CLASSIFICATION NUMBER |
Classification number |
541.2 |
Edition number |
23 |
264 #1 - |
-- |
Berlin, Heidelberg : |
-- |
Springer Berlin Heidelberg, |
-- |
2011. |
912 ## - |
-- |
ZDB-2-CMS |
100 1# - MAIN ENTRY--PERSONAL NAME |
Personal name |
Borbón, Lauro Oliver Paz. |
Relator term |
author. |
245 10 - IMMEDIATE SOURCE OF ACQUISITION NOTE |
Title |
Computational Studies of Transition Metal Nanoalloys |
Medium |
[electronic resource] / |
Statement of responsibility, etc |
by Lauro Oliver Paz Borbón. |
300 ## - PHYSICAL DESCRIPTION |
Extent |
XVI, 156 p. |
Other physical details |
online resource. |
440 1# - SERIES STATEMENT/ADDED ENTRY--TITLE |
Title |
Springer Theses ; |
Volume number/sequential designation |
1 |
505 0# - FORMATTED CONTENTS NOTE |
Formatted contents note |
Introduction -- Theoretical Background and Methodology -- 34-atom Pd-Pt Clusters -- 98 atom Pd-Pt nanoalloys -- 38-atom binary clusters -- Chemical ordering of 34-atom Pd-Pt nanoalloys -- Theoretical study of Pd-Au clusters -- Chemisorption on metal clusters and nanoalloys -- Conclusions and Future Work. |
520 ## - SUMMARY, ETC. |
Summary, etc |
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. |
650 #0 - SUBJECT ADDED ENTRY--TOPICAL TERM |
Topical term or geographic name as entry element |
Chemistry. |
|
Topical term or geographic name as entry element |
Catalysis. |
|
Topical term or geographic name as entry element |
Nanochemistry. |
|
Topical term or geographic name as entry element |
Chemistry. |
|
Topical term or geographic name as entry element |
Theoretical and Computational Chemistry. |
|
Topical term or geographic name as entry element |
Nanochemistry. |
|
Topical term or geographic name as entry element |
Catalysis. |
710 2# - ADDED ENTRY--CORPORATE NAME |
Corporate name or jurisdiction name as entry element |
SpringerLink (Online service) |
773 0# - HOST ITEM ENTRY |
Title |
Springer eBooks |
776 08 - ADDITIONAL PHYSICAL FORM ENTRY |
Display text |
Printed edition: |
International Standard Book Number |
9783642180118 |
856 40 - ELECTRONIC LOCATION AND ACCESS |
Uniform Resource Identifier |
http://dx.doi.org/10.1007/978-3-642-18012-5 |
942 ## - ADDED ENTRY ELEMENTS (KOHA) |
Source of classification or shelving scheme |
|
Item type |
E-Book |