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Theoretical Model for CO Adsorption and Dissociation on Clean and K-Doped β-Mo2C Surfaces
Carolina Pistonesi, María Estela Pronsato, László Bugyi, Alfredo Juan
The Journal of Physical Chemistry C , 116 (46) , 24573-24581 • 2012
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A First-Principles Modeling of Ni Interactions on CeO2−ZrO2Mixed Oxide Solid Solutions
Federico Cova, Delfina García Pintos, Alfredo Juan, Beatriz Irigoyen
The Journal of Physical Chemistry C , 115 (15) , 7456-7465 • 2011
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Advanced materials for hydrogen storage based on iron-palladium intermetallic alloys
M. G. Ganchenkova, V. A. Borodin, S. Yu. Binyukova, E. A. Gonzalez, P. V. Jasen, A. Juan
Inorganic Materials: Applied Research , 2 (2) , 172-175 • 2011
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DFT Study of Hydrogen Adsorption on Palladium Decorated Graphene
Ignacio López-Corral, Estefanía Germán, Alfredo Juan, María A. Volpe, Graciela P. Brizuela
The Journal of Physical Chemistry C , 115 (10) , 4315-4323 • 2011
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Density Functional Theory Study of Methyl Iodide Adsorption and Dissociation on Clean and K-Promoted β-Mo2C Surfaces
M. E. Pronsato, C. Pistonesi, A. Juan, A. P. Farkas, L. Bugyi, F. Solymosi
The Journal of Physical Chemistry C , 115 (6) , 2798-2804 • 2011
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Density functional theory study of selenium adsorption on Fe(1 1 0)
E.A. González, P.V. Jasen, M. Sandoval, P. Bechthold, A. Juan, B. Setina Batic, Monika Jenko
Applied Surface Science , 257 (15) , 6878-6883 • 2011
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Interaction of hydrogen and platinum over a B2 FeTi (110) Slab
J.M. Marchetti, E. González, P. Jasen, G. Brizuela, A. Juan
International Journal of Hydrogen Energy , 36 (15) , 9037-9044 • 2011
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Theoretical and experimental studies on the adsorption of intercalant dyes on anatase and rutile
C.E. Zubieta, E. German, I. López Corral, A. Juan, P.C. Schulz, P.V. Messina, M. Dennehy
Colloids and Surfaces A: Physicochemical and Engineering Aspects , 386 (1-3) , 71-78 • 2011
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Theoretical study of cisplatin adsorption on silica
S. Simonetti, A. Díaz Compañy, G. Brizuela, A. Juan
Applied Surface Science , 258 (3) , 1052-1057 • 2011
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A bonding study of CO–benzene co-adsorption on Rh(111)
Paula V. Jasen, Estela A. González, Graciela Brizuela, Alfredo Juan
Journal of Molecular Catalysis A: Chemical , 323 (1-2) , 23-27 • 2010