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Entries: 1-10  
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Alloy catalyst in a reactive environment: The example of Ag-Cu particles for ethylene epoxidation
Authors: Piccinin, Simone; Zafeiratos, Spiros; Stampfl, Catherine; Hansen, Thomas W.; Hävecker, Michael; Teschner, Detre; Bukhtiyarov, Valerii I.; Girgsdies, Frank; Knop-Gericke, Axel; Schlögl, Robert; Scheffler, Matthias
Date of Publication (YYYY-MM-DD): 2010-01-22
Title of Journal: Physical Review Letters
Volume: 104
Issue / Number: 3
Start Page: 035503-1
End Page: 035503-4
Document Type: Article
ID: 462670.0
 
Full text / Content available
First-principles study of the mechanism of ethylene epoxidation over Ag–Cu particles
Authors: Piccinin, Simone; Nguyen, Ngoc Linh; Stampfl, Catherine; Scheffler, Matthias
Date of Publication (YYYY-MM-DD): 2010
Title of Journal: Journal of Materials Chemistry
Volume: 20
Issue / Number: 46
Start Page: 10521
End Page: 10527
Document Type: Article
ID: 536213.0
 
Full text / Content available
Native defect-induced multifarious magnetism in nonstoichiometric cuprous oxide: First-principles study of bulk and surface properties of Cu2-δO
Authors: Soon, Aloysius; Cui, Xiang-Yuan; Delley, Bernard; Wei, Su-Huai; Stampfl, Catherine
Date of Publication (YYYY-MM-DD): 2009-01-26
Title of Journal: Physical Review B
Volume: 79
Issue / Number: 3
Start Page: 035205-1
End Page: 035205-15
Document Type: Article
ID: 446225.0
 
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Ag-Cu alloy surfaces in an oxidizing environment: A first-principles study
Authors: Piccinin, Simone; Stampfl, Catherine; Scheffler, Matthias
Date of Publication (YYYY-MM-DD): 2009-01-11
Title of Journal: Surface Science
Volume: 603
Issue / Number: 10-12
Start Page: 1467
End Page: 1475
Document Type: Article
ID: 378932.0
 
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First-principles investigation of Ag-Cu alloy surfaces in an oxidizing environment
Authors: Piccinin, Simone; Stampfl, Catherine; Scheffler, Matthias
Date of Publication (YYYY-MM-DD): 2008-02-26
Title of Journal: Physical Review B
Volume: 77
Issue / Number: 7
Start Page: 075426-1
End Page: 075426-9
Document Type: Article
ID: 360596.0
 
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Trends in adsorption of noble gases He, Ne, Ar, Kr, and Xe on Pd(111)(√3 x √3)R30o: All-electron density-functional calculations
Authors: Da Silva, Juarez L. F.; Stampfl, Catherine
Date of Publication (YYYY-MM-DD): 2008-01-02
Title of Journal: Physical Review B
Volume: 77
Issue / Number: 4
Start Page: 045401-1
End Page: 045401-13
Document Type: Article
ID: 321173.0
 
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Surface Processes and Phase Transitions from Ab Initio Atomistic Thermodynamics and Statistical Mechanics
Authors: Stampfl, Catherine
Name of University: Technisch Universität Berlin
Place of University: Berlin
Date of Approval (YYYY-MM-DD): 2006-06-28
Document Type: Habilitation
ID: 301355.0
Converged properties of clean metal surfaces by all-electron first-principles calculations
Authors: Da Silva, Juarez L. F.; Stampfl, Catherine; Scheffler, Matthias
Date of Publication (YYYY-MM-DD): 2006
Title of Journal: Surface Science
Volume: 600
Issue / Number: 3
Start Page: 703
End Page: 715
Document Type: Article
ID: 248858.0
Density of configurational states from first-principles calculations: The phase diagram of Al-Na surface alloys
Authors: Borg, Mikael; Stampfl, Catherine; Mikkelsen, Anders; Gustafson, Johan; Lundgren, Edvin; Scheffler, Matthias; Andersen, Jesper N.
Date of Publication (YYYY-MM-DD): 2005-09-12
Title of Journal: ChemPhysChem
Volume: 6
Issue / Number: 9
Start Page: 1923
End Page: 1928
Document Type: Article
ID: 238119.0
Xe adsorption on metal surfaces: First-principles investigations
Authors: Da Silva, Juarez L. F.; Stampfl, Catherine; Scheffler, Matthias
Date of Publication (YYYY-MM-DD): 2005-08-16
Title of Journal: Physical Review B
Volume: 72
Start Page: 075424-1
End Page: 075424-19
Document Type: Article
ID: 119905.0
 
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Entries: 1-10  
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