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Predicting the oxygen-binding properties of platinum nanoparticle ensembles by combining high-precision electron microscopy and density functional theory

Abstract:

Many studies of heterogeneous catalysis, both experimental and computational, make use of idealized structures such as extended surfaces or regular polyhedral nanoparticles. This simplification neglects the morphological diversity in real commercial oxygen reduction reaction (ORR) catalysts used in fuel-cell cathodes. Here we introduce an approach that combines 3D nanoparticle structures obtained from high-throughput high-precision electron microscopy with density functional theory. Discrepan...

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Publication status:
Published
Peer review status:
Peer reviewed

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Institution:
University of Oxford
Oxford college:
St Antony's College
Department:
Oxford, MPLS, Materials
Role:
Author
More by this author
Institution:
University of Oxford
Department:
Oxford, MPLS, Materials
Role:
Author
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Engineering and Physical Sciences Research Council More from this funder
Johnson Matthey Plc More from this funder
Publisher:
American Chemical Society Publisher's website
Journal:
Nano Letters Journal website
Volume:
17
Issue:
7
Pages:
4003-4012
Publication date:
2017-06-23
Acceptance date:
2017-06-23
DOI:
EISSN:
1530-6992
ISSN:
1530-6984
Pubs id:
pubs:702284
URN:
uri:a5f1a457-102a-4c4b-b869-119c16b121b8
UUID:
uuid:a5f1a457-102a-4c4b-b869-119c16b121b8
Local pid:
pubs:702284

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