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

doi:10.1103/PhysRevB.77.075410

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

Department of Chemical and Biomolecular Engineering

Research output: Contribution to journal › Article › peer-review

177 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 language	English
Article number	075410
Journal	Physical Review B - Condensed Matter and Materials Physics
Volume	77
Issue number	7
DOIs	https://doi.org/10.1103/PhysRevB.77.075410
Publication status	Published - 2008 Feb 13

All Science Journal Classification (ASJC) codes

Electronic, Optical and Magnetic Materials
Condensed Matter Physics

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10.1103/PhysRevB.77.075410

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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.",

author = "Han, {B. C.} and Miranda, {C. R.} and G. Ceder",

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

Abstract

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