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DATOS PERSONALES
 
Mariscal MARISCAL, Marcelo M.
Cargo en la Facultad:
Profesor Adjunto
Categoría Carrera Investigador Conicet:
Investigador Adjunto
Departamento:
Matemática y Física
Correo-E:
marcelo.mariscal@gmail.com
 
INVESTIGACIÓN
 

Mediante simulaciones computacionales de dinámica molecular, Monte Carlo y métodos de minimización de energía estudiamos los procesos, a nivel atómico, más relevantes en la formación de nanopartículas bi-metálicas de interés en catálisis y bio-medicina.

Estudiamos también el efecto de agentes pasivantes, introduciendo modelos de interaccion mas sofisticados. Utilizando métodos de optimización global y potenciales semi-empíricos de alta transferibilidad realizamos estudios sobre las propiedades mecánicas, estructurales y magnéticas de nanoalambres de materiales magnéticos confinados en nanotubos de carbono para aplicaciones en nanomedicina y sondas magneticas.

 
PRINCIPALES PUBLICACIONES
 

Planar gold nanoclusters showing pentagonal atomic arrays revealed by aberration-corrected scanning transmission electron microscopy, A. Mayoral, D. A. Blom, M. M. Mariscal, C. Gutierrez-Wing, J. Aspiazu, M. J-Yacamán, Chem. Comm. (2010) accepted  - in press.

The Co-Au interface in bimetallic nanoparticles: A high resolution STEM study. A. Mayoral, S. Mejía-Rosales, M. M. Mariscal, E. Pérez-Tijerina and M. José-Yacamán, Nanoscale (2010) accepted  - in press.

A synthesis route of gold nanoparticles without using a reducing agent, C. Vargas-Hernandez, M. M. Mariscal and M. J. Yacaman, App. Phys. Lett. 96 (2010) 213115
http://apl.aip.org/applab/v96/i21/p213115_s1

On the atomic structure of thiol protected gold nanoparticles. A combined experimental and theoretical study. M. M. Mariscal, J. A. Olmos-Asar, C. Gutierrez-Wing, A. Mayoral and M. J. Yacaman, Phys. Chem. Chem. Phys. 12 (2010) 11785
http://www.rsc.org/ej/CP/2010/c004229c.pdf

Computer simulation of the reversible electrochemical catalyst promoter doser. M. I. Rojas, M. M. Mariscal, E. P. M. Leiva Electrochimica Acta, (2010) doi:10.1016/j.electacta.2010.07.041.

Theoretical Studies of Preparation of Core-Shell Nanoparticles by Electrochemical Metal Deposition. O. A. Oviedo, M. M. Mariscal, E. P. M. Leiva. Electrochimica Acta (2010) doi:10.1016/j.electacta.2010.03.059.

On the Occurrence of Stable and Metastable States in Metallic Core-shell Nanoparticles O. A. Oviedo, M. M. Mariscal  E. P. M. Leiva. Phys. Chem. Chem. Phys. 12 (2010) 4580 – 4589
http://www.rsc.org/ej/CP/2010/b924348h.pdf

The behavior of single-molecule junctions predicted by atomistic simulations J. A. Olmos Asar, E. P. M. Leiva and M. M. Mariscal, Electrochem. Comm. 11 (2009) 987. (Pub.: Elsevier)
http://dx.doi.org/10.1016/j.elecom.2009.02.048

Stochastic model for spontaneous formation of molecular wires J. A. Olmos Asar, M. M. Mariscal and E. P. M. Leiva, Electrochim. Acta. 54 (2009) 2977.

On the structural and mechanical properties of Fe-filled carbon nanotubes – A computer simulation approach G. Soldano and M. M. Mariscal, Nanotechnology 20 (2009) 165705 (Pub.: IOP)
http://iopscience.iop.org/0957-4484/20/16/165705

Diffusion mechanisms taking place at the early stages of cobalt deposition on Au(111) O. A. Oviedo, E. P. M. Leiva and M. M. Mariscal, J. Phys.: Condens. Matter 20 (2008) 265010 (Pub.: Institute of Physics)

Thermodynamic considerations and computer simulations on the spontaneous formation of core-shell nanoparticles under electrochemical conditions. O. A. Oviedo, E. P. M. Leiva and M. M. Mariscal, Phys. Chem. Chem. Phys., 10 (2008) 3561, seleccionado como HOT-ARTICLE (Pub.: Royal Society of Chemistry)
http://pubs.rsc.org/en/Content/ArticleLanding/2008/CP/b801838c

Computer simulation of the effective double layer occurring on a catalyst surface under electrochemical promotion conditions, E. P. M. Leiva, C. Vazquez, M. I. Rojas and M. M. Mariscal, Journal of Applied Electrochemistry 38 (2008) 1065, (Pub.: Springer)

Atomistic Computer Simulations on the Generation of Bimetallic Nanoparticles, M. Mariscal, N. A. Oldani, S.A. Dassie and E.P.M. Leiva, Faraday Discussions, 136 (2008) 06. (Pub.: Royal Society of Chemistry)

Computer simulation of electrochemical nanostructuring induced by supersaturation conditions - M. Mariscal, S.A. Dassie and E.P.M. Leiva, Journal of Electroanalytical Chemistry, 607 (2007) 10 (Pub.: Elsevier)

Computer simulation of the effective double layer occurring on a catalyst surface under electrochemical promotion conditions. E. P. M. Leiva, C. Vazquez, M. I. Rojas and M. M. Mariscal, OREPOC Proceedings book 10-13 (2007).

The structure of electrodeposits – computer simulation study. - M. Mariscal, E.P.M. Leiva, K. Pötting and W. Schmickler, Applied Physics A. 87 (2007) 385. (Pub.: Springer)

A new simulation model for electrochemical metal deposition- W. Schmickler, K. Pötting and M. Mariscal, Chemical Physics, 320 (2006) 149. (5° lugar en 25HotArticles) (Pub.: Elsevier)

Collision as a way of forming bimetallic nanoclusters of various structures and chemical compositions- M. Mariscal, S.A. Dassie and E.P.M. Leiva, Journal of Chemical Physics, 123 (2005) 184505. (Pub:. American Institute of Physics)

On the generation of metal clusters with the electrochemical scanning tunneling microscope - M. Del Pópolo, E. P Leiva, M. Mariscal, and W. Schmickler, Surface Science 597 (2005) 133. (Pub.: Elsevier)

Effects of tip structure on the generation of metal clusters by an STM tip: a way to control the orientation on nanocristallites. - M. Mariscal, C. Narambuena, M. Del Pópolo, E. P Leiva, Nanotechnology 16 (2005) 974. (Pub.: Institute of Physics)

On the surface properties of lead structures on Au (111), an atom dynamic approach – M. Mariscal and W. Schmickler, Journal of Electroanalytical Chemistry 582 (2005) 64. (Pub.: Elsevier)

 
OTROS CONTACTOS
 
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