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

B. C. Han, C. R. Miranda, G. Ceder

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143 Citations (Scopus)

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 eV at different adsorption sites and particle sizes.

Original languageEnglish
Article number075410
JournalPhysical Review B - Condensed Matter and Materials Physics
Volume77
Issue number7
DOIs
Publication statusPublished - 2008 Feb 13

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Chemisorption
Platinum
Surface structure
platinum
Particle size
Nanoparticles
Adsorption
nanoparticles
chemisorption
adsorption
Density functional theory
density functional theory
energy

All Science Journal Classification (ASJC) codes

  • Electronic, Optical and Magnetic Materials
  • Condensed Matter Physics

Cite this

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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 eV at different adsorption sites and particle sizes.",
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