INVESTIGADORES
ROJAS Mariana Isabel
artículos
Título:
Computer simulation of the effective double layer occurring on a catalyst surface under electrochemical promotion conditions
Autor/es:
EZEQUIEL PEDRO MARCOS LEIVA; CECILIA VÁZQUEZ; MARIANA ISABEL ROJAS; MARCELO MARIO MARISCAL
Revista:
JOURNAL OF APPLIED ELECTROCHEMISTRY
Editorial:
Springer Netherlands
Referencias:
Año: 2008 vol. 38 p. 1065 - 1073
ISSN:
0021-891X
Resumen:
In this work, the structural and energetic properties of two typical catalytic surfaces, Na/Pt(111) and O/Pt(111), are studied by means of quantum mechanical calculation and Monte Carlo Gran Canonical simulations. The simulations were performed with electrostatic potentials at different truncation schemes. In order to elucidate the modification of catalyst surfaces produced by the backspillover of ionic species onto Pt(111), the electrostatic field at the interface due to the electric double layer was also analyzed.
