LEIVA EZEQUIEL PEDRO MARCOS
Artículos
Título:
Computer simulation of the effective double layer occurring on a catalyst surface under electro-chemical promotion conditions
Autor/es:
E.P.M. LEIVA; C. VÁZQUEZ; M.I. ROJAS; M.M. MARISCAL
Editorial:
Springer Science + Business Media
Referencias:
Año: 2008 vol. 38 p. 1065 - 1065
Resumen:
font face="AdvPTimesB" size="2">
Abstract 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
calculations and Monte Carlo Grand 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.
properties of two typical catalytic surfaces, Na/Pt(111) and
O/Pt(111), are studied by