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Ruthenium decorated single walled carbon nanotube for molecular hydrogen storage: A first-principle study
Valeria Verdinelli, Alfredo Juan, Estefania German
International Journal of Hydrogen Energy , 44 (16) , 8376-8383 • 2019
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Surface modification vs sorption strength: Study of nedaplatin drug supported on silica
E. Noseda Grau, G. Román, A. Díaz Compañy, G. Brizuela, A. Juan, S. Simonetti
Applied Surface Science , 465 , 693-699 • 2019
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Zero energy mode for an electron in graphene in a perpendicular magnetic field with constant asymptotics
Juan Sebastián Ardenghi, Alfredo Juan, Valeria Orazi, Lucas Sourrouille
Physica E: Low-dimensional Systems and Nanostructures , 109 , 225-227 • 2019
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A first-principles study of pristine and Al-doped activated carbon interacting with 5-Fluorouracil anticancer drug
G. Román, E. Noseda Grau, A. Díaz Compañy, G. Brizuela, A. Juan, S. Simonetti
The European Physical Journal E , 41 (9) • 2018
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Adsorption and removal of phenoxy acetic herbicides from water by using commercial activated carbons: experimental and computational studies
Agustín Spaltro, Matías Pila, Sandra Simonetti, Silvia Álvarez-Torrellas, Juan García Rodríguez, Danila Ruiz, Andres Díaz Compañy, Alfredo Juan, Patricia Allegretti
Journal of Contaminant Hydrology , 218 , 84-93 • 2018
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Adsorption of bentazon on CAT and CARBOPAL activated carbon: Experimental and computational study
Agustín Spaltro, Sandra Simonetti, Silvia Alvarez Torrellas, Juan Garcia Rodriguez, Danila Ruiz, Alfredo Juan, Patricia Allegretti
Applied Surface Science , 433 , 487-501 • 2018
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Formation of localized magnetic states in graphene in hollow-site adsorbed adatoms
F. Escudero, J.S. Ardenghi, L. Sourrouille, P. Jasen, A. Juan
Superlattices and Microstructures , 113 , 291-300 • 2018
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Hydrogen storage in Zr0.9Ti0.1(Ni0.5Cr0.5-xVx)2 Laves phase, with x = 0, 0.125, 0.25, 0.375, 0.5. A theoretical approach
A. Robina, P. Bechthold, A. Juan, C. Pistonesi, M.E. Pronsato
International Journal of Hydrogen Energy , 43 (33) , 16085-16091 • 2018
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Surface enhancement Raman spectroscopy and density functional theory study of silver nanoparticles synthetized with d‐glucose
Alejandro González Fá, Ignacio López‐Corral, Ricardo Faccio, Alfredo Juan, María Susana Di Nezio
Journal of Raman Spectroscopy , 49 (11) , 1756-1764 • 2018
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The adsorption of CO, O2 and H2 on Li–doped defective (8,0) SWCNT: A DFT study
C.R. Luna, P. Bechthold, G. Brizuela, A. Juan, C. Pistonesi
Applied Surface Science , 459 , 201-207 • 2018