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Mariana Isabel Rojas
Mariana Isabel Rojas
Associated Professor, INFIQC, Facultad de Ciencias Químicas, Universidad Nacional de Córdoba
Adresse e-mail validée de unc.edu.ar
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Density functional theory study of a graphene sheet modified with titanium in contact with different adsorbates
MI Rojas, EPM Leiva
Physical Review B 76 (15), 155415, 2007
1222007
Interferents for hydrogen storage on a graphene sheet decorated with nickel: a DFT study
A Sigal, MI Rojas, EPM Leiva
International journal of hydrogen energy 36 (5), 3537-3546, 2011
732011
The origin of the catalysis of hydrogen peroxide reduction by functionalized graphene surfaces: A density functional theory study
GL Luque, MI Rojas, GA Rivas, EPM Leiva
Electrochimica Acta 56 (1), 523-530, 2010
652010
Is hydrogen storage possible in metal-doped graphite 2D systems in conditions found on earth?
A Sigal, MI Rojas, EPM Leiva
Physical review letters 107 (15), 158701, 2011
612011
The oxygen and chlorine evolution reactions at titanium oxide electrodes modified with platinum
MI Rojas, MJ Esplandiu, LB Avalle, EPM Leiva, VA Macagno
Electrochimica acta 43 (12-13), 1785-1794, 1998
571998
Electric and structural properties of polymeric graphite carbon nitride (g-C3N4): A Density Functional Theory study
AM Silva, MI Rojas
Computational and Theoretical Chemistry 1098, 41-49, 2016
382016
Erratum to:“An embedded atom approach to underpotential deposition phenomena”:[Surf. Sci. 421 (1999) 59]
MI Rojas, CG Sanchez, MG Del Pópolo, EPM Leiva
Surface Science 453 (1-3), 225-228, 2000
322000
Simulation Study of Pd Submonolayer Films on Au(hkl) and Pt(hkl) and Their Relationship to Underpotential Deposition
MI Rojas, MG Del Pópolo, EPM Leiva
Langmuir 16 (24), 9539-9546, 2000
282000
First-principles studies of lithium storage in reduced graphite oxide
CB Robledo, M Otero, G Luque, O Cámara, D Barraco, MI Rojas, ...
Electrochimica Acta 140, 232-237, 2014
252014
Energetic and entropic contributions to the underpotential/overpotential deposition shifts on single crystal surfaces from lattice dynamics
OA Oviedo, EPM Leiva, MI Rojas
Electrochimica acta 51 (17), 3526-3536, 2006
232006
The origin of high electrocatalytic activity of hydrogen peroxide reduction reaction by a gC 3 N 4/HOPG sensor
CG Gomez, AM Silva, MC Strumia, LB Avalle, MI Rojas
Nanoscale 9 (31), 11170-11179, 2017
222017
Computer simulation of the effective double layer occurring on a catalyst surface under electro-chemical promotion conditions
EPM Leiva, C Vázquez, MI Rojas, MM Mariscal
Journal of Applied Electrochemistry 38, 1065-1073, 2008
222008
Kinetic Monte Carlo simulation of Pt discontinuous thin film formation adsorbed on Au
MI Rojas, MC Giménez, EPM Leiva
Surface science 581 (1), L109-L114, 2005
222005
Off lattice Monte Carlo simulation study for different metal adlayers onto (1 1 1) substrates
MI Rojas
Surface science 569 (1-3), 76-88, 2004
192004
Influence of coadsorbed H in CO dissociation and CHn formation on Fe (1 0 0): A DFT study
S Amaya-Roncancio, DH Linares, K Sapag, MI Rojas
Applied Surface Science 346, 438-442, 2015
142015
First-principles studies concerning optimization of hydrogen storage in nanoporous reduced graphite oxide
CB Robledo, MI Rojas, O Cámara, EPM Leiva
international journal of hydrogen energy 39 (9), 4396-4403, 2014
132014
Curvature effect in the longitudinal unzipping carbon nanotubes: a DFT study
GL Luque, MI Rojas, EPM Leiva
Journal of Solid State Electrochemistry 17, 1189-1200, 2013
102013
2D-drop model applied to the calculation of step formation energies on a (111) substrate
MI Rojas, GE Amilibia, MG Del Pópolo, EPM Leiva
Surface science 499 (1), L135-L140, 2002
102002
Theoretical study about the adsorption of lead on (111),(100),(110) monocrystalline surfaces of gold
MI Rojas, SA Dassie, EPM Leiva
Zeitschrift für Physikalische Chemie 185 (1), 33-50, 1994
101994
A jellium/point dipoles model for water adsorption on Ag (110)
MI Rojas, EPM Leiva
Surface Science 227 (3), L121-1124, 1990
101990
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