<span style="font-size:14.0pt;line-height: 115%;font-family:"Times New Roman";mso-fareast-font-family:"Times New Roman"; color:black;mso-ansi-language:EN-IN;mso-fareast-language:EN-IN;mso-bidi-language: HI" lang="EN-IN">MC model studies of CeO₂ -metal interaction in Pt-Rh nanocatalysts</span>

Abstract

MC simulation technique has been used to investigate the effects of gradual reduction of Pt –Rh/ceria and the concomitant change in the metal -support interaction on the composition of Pt -Rh nanocatalysts. For all nanoparticle sizes the Pt fraction at the basal layer of the Pt₅₀Rh₅₀ systems is found to increase with metal-support interaction. The Pt fraction is highest at the basal layer and reaches approximately the particle-average value of 50% at the fourth layer from the base. In the rest of the particle surface, which is exposed to the reacting gases, the Pt fraction is highest when metal-support interaction is weak; and decreases gradually with higher strength of metal-support interaction.