Effect of particle size and surface structure on adsorption of O and OH on platinum nanoparticles: A first-principles study

Abstract

Using first-principles density functional theory, we study the effect of particle size and surface structure on the chemisorption energy of OH and O on nanoparticles of Pt. We find that the chemisorption energies of O and OH are strongly affected by the size and structure of the Pt particle varying by up to $1.0\phantom{\rule{0.3em}{0ex}}\mathrm{eV}$ at different adsorption sites and particle sizes.