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Coverage-dependent adsorption mode of water on Fe3O4(001): Insights from first principles calculations
Authors: Mulakaluri, Narasimham; Pentcheva, Rossitza; Scheffler, Matthias
Date of Publication (YYYY-MM-DD): 2010-06-08
Title of Journal: Journal of Physical Chemistry C
Volume: 114
Issue / Number: 25
Start Page: 11148
End Page: 11156
Document Type: Article
ID: 475850.0
Semiconductor–half metal transition at the Fe3O4(001) surface upon hydrogen adsorption
Authors: Parkinson, Gareth S.; Mulakaluri, Narasimham; Losovyj, Yaroslav; Jacobson, Peter; Pentcheva, Rossitza; Diebold, Ulrike
Date of Publication (YYYY-MM-DD): 2010
Title of Journal: Physical Review B
Volume: 82
Issue / Number: 12
Sequence Number of Article: 125413
Document Type: Article
ID: 537774.0
 
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Partial dissociation of water on Fe3O4(001): Adsorbate induced charge and orbital order
Authors: Mulakaluri, Narasimham; Pentcheva, Rossitza; Wieland, Maria; Moritz, Wolfgang; Scheffler, Matthias
Date of Publication (YYYY-MM-DD): 2009-10-23
Title of Journal: Physical Review Letters
Volume: 103
Issue / Number: 17
Start Page: 176102-1
End Page: 176102-4
Document Type: Article
ID: 437735.0
 
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Theoretical evidence of a mixed adsorption mode of water on Fe3O4(001)
Authors: Mulakaluri, Narasimham; Pentcheva, Rossitza; Moritz, W.; Weiland, M.; Scheffler, Matthias
Date of Publication (YYYY-MM-DD): 2009-06
Name of Conference/Meeting: 19th Annual VM Goldschmidt Conference
Title of Journal: Geochimica et Cosmochimica Acta
Volume (in Journal): 73
Issue / Number: 13
Start Page: A913
End Page: A913
Document Type: Conference-Paper
ID: 446243.0
Compensation mechanisms and functionality of transition metal oxide surfaces and Interfaces: A density functional theory study
Authors: Pentcheva, Rossitza; Mulakaluri, Narasimham; Moritz, Wolfgang; Pickett, Warren E.; Kleinhenz, Hans-Georg; Scheffler, Matthias
Title of Book: High Performance Computing in Science and Engineering
Start Page: 709
End Page: 717
Place of Publication: Berlin Heidelberg
Publisher: Springer
Date of Publication (YYYY-MM-DD): 2009
Document Type: InBook
ID: 398452.0
 
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Entries: 1-5  
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