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A microscopic level insight into Pt doped TiZn (001) surface for hydrogen energy storage usage
V. Verdinelli, A. Juan, J. M. Marchetti, E. Germán
RSC Advances , 6 (77) , 73566-73575 • 2016
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A van der Waals DFT study of PtH 2 systems absorbed on pristine and defective graphene
Ignacio López-Corral, Sebastián Piriz, Ricardo Faccio, Alfredo Juan, Marcelo Avena
Applied Surface Science , 382 , 80-87 • 2016
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DFT study of Rh-decorated pristine, B-doped and vacancy defected graphene for hydrogen adsorption
Rubén E. Ambrusi, C. Romina Luna, Alfredo Juan, María E. Pronsato
RSC Advances , 6 (87) , 83926-83941 • 2016
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Electronic properties of Cantor random box distribution of impurities in graphene
J.S. Ardenghi, P. Bechthold, P. Jasen, E. Gonzalez, A. Juan
Superlattices and Microstructures , 89 , 398-408 • 2016
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β-Cristobalite (001) surface as 4-formaminoantipyrine adsorbent: First principle study of the effect on adsorption of surface modification
S. Simonetti, A. Díaz Compañy, G. Brizuela, A. Juan
Colloids and Surfaces B: Biointerfaces , 148 , 287-292 • 2016
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A DFT study of phenol adsorption on a low doping Mn–Ce composite oxide model
Oriana D́Alessandro, Delfina García Pintos, Alfredo Juan, Beatriz Irigoyen, Jorge Sambeth
Applied Surface Science , 359 , 14-20 • 2015
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Characterization of the PtNi(111) surface and their influence on the selectivity of CC and COOH bonds: A DFT study
S. Simonetti, E. Diez Tortorella, G. Brizuela, A. Juan
Applied Surface Science , 353 , 1164-1169 • 2015
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DFT Study of a Novel Organic Film: The Structural versus Magnetic Effects
S. Simonetti, A. Juan, G. Brizuela, S. Ulacco
Advances in Physical Chemistry , 2015 , 1-7 • 2015
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Density functional theory based-study of 5-fluorouracil adsorption on β-cristobalite (1 1 1) hydroxylated surface: The importance of H-bonding interactions
S. Simonetti, A. Díaz Compañy, E. Pronsato, A. Juan, G. Brizuela, A. Lam
Applied Surface Science , 359 , 474-479 • 2015
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Effects of the electron–hole pair in Auger and X-ray photoemission spectroscopy from surfaces of Fe–Si
J.L. Gervasoni, M. Jenko, B. Poniku, I. Belič, A. Juan
Nuclear Instruments and Methods in Physics Research Section B: Beam Interactions with Materials and Atoms , 354 , 313-316 • 2015