Resolving the structure of active sites on platinum catalytic nanoparticles

Lan Yun Chang; Amanda S. Barnard; Lionel Cervera Gontard; Rafal E. Dunin-Borkowski

doi:10.1021/nl101642f

Resolving the structure of active sites on platinum catalytic nanoparticles

Lan Yun Chang, Amanda S. Barnard, Lionel Cervera Gontard, Rafal E. Dunin-Borkowski

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

104 Scopus citations

Abstract

Accurate understanding of the structure of active sites is fundamentally important in predicting catalytic properties of heterogeneous nanocatalysts. We present an accurate determination of both experimental and theoretical atomic structures of surface monatomic steps on industrial platinum nanoparticles. This comparison reveals that the edges of nanoparticles can significantly alter the atomic positions of monatomic steps in their proximity, which can lead to substantial deviations in the catalytic properties compared with the extended surfaces.

Original language	English (US)
Pages (from-to)	3073-3076
Number of pages	4
Journal	Nano Letters
Volume	10
Issue number	8
DOIs	https://doi.org/10.1021/nl101642f
State	Published - Aug 11 2010
Externally published	Yes

Keywords

Platinum catalytic nanoparticles
density functional theory calculations
surface steps
transmission electron microscopy

ASJC Scopus subject areas

Bioengineering
General Chemistry
General Materials Science
Condensed Matter Physics
Mechanical Engineering

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10.1021/nl101642f

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abstract = "Accurate understanding of the structure of active sites is fundamentally important in predicting catalytic properties of heterogeneous nanocatalysts. We present an accurate determination of both experimental and theoretical atomic structures of surface monatomic steps on industrial platinum nanoparticles. This comparison reveals that the edges of nanoparticles can significantly alter the atomic positions of monatomic steps in their proximity, which can lead to substantial deviations in the catalytic properties compared with the extended surfaces.",

keywords = "Platinum catalytic nanoparticles, density functional theory calculations, surface steps, transmission electron microscopy",

author = "Chang, {Lan Yun} and Barnard, {Amanda S.} and Gontard, {Lionel Cervera} and Dunin-Borkowski, {Rafal E.}",

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AU - Barnard, Amanda S.

AU - Gontard, Lionel Cervera

AU - Dunin-Borkowski, Rafal E.

PY - 2010/8/11

Y1 - 2010/8/11

N2 - Accurate understanding of the structure of active sites is fundamentally important in predicting catalytic properties of heterogeneous nanocatalysts. We present an accurate determination of both experimental and theoretical atomic structures of surface monatomic steps on industrial platinum nanoparticles. This comparison reveals that the edges of nanoparticles can significantly alter the atomic positions of monatomic steps in their proximity, which can lead to substantial deviations in the catalytic properties compared with the extended surfaces.

AB - Accurate understanding of the structure of active sites is fundamentally important in predicting catalytic properties of heterogeneous nanocatalysts. We present an accurate determination of both experimental and theoretical atomic structures of surface monatomic steps on industrial platinum nanoparticles. This comparison reveals that the edges of nanoparticles can significantly alter the atomic positions of monatomic steps in their proximity, which can lead to substantial deviations in the catalytic properties compared with the extended surfaces.

KW - Platinum catalytic nanoparticles

KW - density functional theory calculations

KW - surface steps

KW - transmission electron microscopy

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Resolving the structure of active sites on platinum catalytic nanoparticles

Abstract

Keywords

ASJC Scopus subject areas

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