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Entries: 1-10  
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The Role of Composition of Uniform and Highly Dispersed Cobalt Vanadium Iron Spinel Nanocrystals for Oxygen Electrocatalysis
Authors: Chakrapani, Kalapu; Bendt, Georg; Hajiyani, Hamidreza; Lunkenbein, Thomas; Greiner, Mark T.; Masliuk, Liudmyla; Salamon, Soma; Landers, Joachim; Schlögl, Robert; Wende, Heiko; Pentcheva, Rossitza; Schulz, Stephan; Behrens, Malte
Date of Publication (YYYY-MM-DD): 2018
Title of Journal: ACS Catalysis
Volume: 8
Issue / Number: 2
Start Page: 1259
End Page: 1267
Document Type: Article
ID: 741008.0
Role of Composition and Size of Cobalt Ferrite Nanocrystals in the Oxygen Evolution Reaction
Authors: Chakrapani, Kalapu; Bendt, Georg; Hajiyani, Hamidreza; Schwarzrock, Ingo; Lunkenbein, Thomas; Salamon, Soma; Landers, Joachim; Wende, Heiko; Schlögl, Robert; Pentcheva, Rossitza; Behrens, Malte; Schulz, Stephan
Date of Publication (YYYY-MM-DD): 2017
Title of Journal: ChemCatChem
Volume: 9
Issue / Number: 15
Start Page: 2988
End Page: 2995
Document Type: Article
ID: 735200.0
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
 
Full text / Content available
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
 
Full text / Content available
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
 
Full text / Content available
A combined DFT/LEED-approach for complex oxide surface structure determination: Fe3O4(0 0 1)
Authors: Pentcheva, Rossitza; Moritz, W.; Rundgren, J.; Frank, S.; Schrupp, D.; Scheffler, Matthias
Date of Publication (YYYY-MM-DD): 2008-01-15
Title of Journal: Surface Science
Volume: 602
Issue / Number: 7
Start Page: 1299
End Page: 1305
Document Type: Article
ID: 336027.0
Jahn-Teller stabilization of a "polar" metal oxide surface: Fe3O4(001)
Authors: Pentcheva, Rossitza; Wendler, F.; Meyerheim, H. L.; Moritz, W.; Jedrecy, N.; Scheffler, Matthias
Date of Publication (YYYY-MM-DD): 2005-04-01
Title of Journal: Physical Review Letters
Volume: 94
Issue / Number: 12
Start Page: 126101-1
End Page: 126101-4
Document Type: Article
ID: 208227.0
 
Full text / Content available
Structure, energetics and properties of Fe3O4(001) from first principles
Authors: Pentcheva, Rossitza; Wagner, F.; Moritz, W.; Scheffler, Matthias
Place of Publication: Berlin-Heidelberg
Publisher: Springer-Verlag
Date of Publication (YYYY-MM-DD): 2005
Name of Conference/Meeting: Transactions of the Secont Jont HLRB and KONWIHR Status Result Workshop
Title of Proceedings: High Performance Computing in Science and Engineering, Munich 2004
Start Page: 375
End Page: 381
Document Type: Conference-Paper
ID: 206714.0
Entries: 1-10  
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