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Computational Studies of Transition Metal Nanoalloys (Record no. 27786)

000 -LEADER
fixed length control field 02355nam a22004335i 4500
003 - CONTROL NUMBER IDENTIFIER
control field OSt
005 - DATE AND TIME OF LATEST TRANSACTION
control field 20140310153330.0
007 - PHYSICAL DESCRIPTION FIXED FIELD--GENERAL INFORMATION
fixed length control field cr nn 008mamaa
008 - FIXED-LENGTH DATA ELEMENTS--GENERAL INFORMATION
fixed length control field 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
Copies
Price effective from Permanent location Date last seen Not for loan Date acquired Source of classification or shelving scheme Koha item type Damaged status Lost status Withdrawn status Current location Full call number
2014-04-14AUM Main Library2014-04-14 2014-04-14 E-Book   AUM Main Library541.2