The Resource Computational Studies of Transition Metal Nanoalloys, by Lauro Oliver Paz Borbón, (electronic resource)

Computational Studies of Transition Metal Nanoalloys, by Lauro Oliver Paz Borbón, (electronic resource)

Label
Computational Studies of Transition Metal Nanoalloys
Title
Computational Studies of Transition Metal Nanoalloys
Statement of responsibility
by Lauro Oliver Paz Borbón
Creator
Author
Author
Subject
Language
  • eng
  • eng
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
Member of
http://library.link/vocab/creatorName
Borbón, Lauro Oliver Paz
Dewey number
  • 546.3
  • 546/.3
  • 669.9
http://bibfra.me/vocab/relation/httpidlocgovvocabularyrelatorsaut
UezWXcX4k6o
Language note
English
LC call number
QD450-801
Literary form
non fiction
Nature of contents
dictionaries
Series statement
Springer Theses, Recognizing Outstanding Ph.D. Research,
http://library.link/vocab/subjectName
  • Chemistry
  • Nanochemistry
  • Catalysis
  • Theoretical and Computational Chemistry
  • Nanochemistry
  • Catalysis
Label
Computational Studies of Transition Metal Nanoalloys, by Lauro Oliver Paz Borbón, (electronic resource)
Instantiates
Publication
Note
Description based upon print version of record
Bibliography note
Includes bibliographical references and index
Carrier category
online resource
Carrier category code
cr
Content category
text
Content type code
txt
Contents
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
Dimensions
unknown
Edition
1st ed. 2011.
Extent
1 online resource (162 p.)
Form of item
online
Isbn
9783642180125
Media category
computer
Media type code
c
Other control number
10.1007/978-3-642-18012-5
Specific material designation
remote
System control number
  • (CKB)2670000000082515
  • (EBL)993711
  • (OCoLC)902403882
  • (SSID)ssj0000508084
  • (PQKBManifestationID)11336110
  • (PQKBTitleCode)TC0000508084
  • (PQKBWorkID)10550828
  • (PQKB)10685991
  • (DE-He213)978-3-642-18012-5
  • (MiAaPQ)EBC993711
  • (EXLCZ)992670000000082515
Label
Computational Studies of Transition Metal Nanoalloys, by Lauro Oliver Paz Borbón, (electronic resource)
Publication
Note
Description based upon print version of record
Bibliography note
Includes bibliographical references and index
Carrier category
online resource
Carrier category code
cr
Content category
text
Content type code
txt
Contents
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
Dimensions
unknown
Edition
1st ed. 2011.
Extent
1 online resource (162 p.)
Form of item
online
Isbn
9783642180125
Media category
computer
Media type code
c
Other control number
10.1007/978-3-642-18012-5
Specific material designation
remote
System control number
  • (CKB)2670000000082515
  • (EBL)993711
  • (OCoLC)902403882
  • (SSID)ssj0000508084
  • (PQKBManifestationID)11336110
  • (PQKBTitleCode)TC0000508084
  • (PQKBWorkID)10550828
  • (PQKB)10685991
  • (DE-He213)978-3-642-18012-5
  • (MiAaPQ)EBC993711
  • (EXLCZ)992670000000082515

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