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Strain effects in core-shell PtCo nanoparticles: a comparison of experimental observations and computational modelling

Abstract:

Strain in Pt nanoalloys induced by the secondary metal has long been suggested as a major contributor to the modification of catalytic properties. Here, we investigate strain in PtCo nanoparticles using a combination of computational modelling and microscopy experiments. We have used a combination of molecular dynamics (MD) and large-scale density functional theory (DFT) for our models, alongside experimental work using annular dark field scanning transmission electron microscopy (ADF-STEM). ...

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Publication status:
Published
Peer review status:
Peer reviewed

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Publisher copy:
10.1039/d0cp04318d

Authors


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Role:
Author
ORCID:
0000-0002-6034-0723
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Role:
Author
ORCID:
0000-0002-8482-0203
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Role:
Author
ORCID:
0000-0002-2105-1443
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Role:
Author
ORCID:
0000-0002-6249-796X
Publisher:
Royal Society of Chemistry
Journal:
Physical Chemistry Chemical Physics More from this journal
Volume:
2020
Issue:
22
Pages:
24784-24795
Publication date:
2020-10-20
Acceptance date:
2020-10-19
DOI:
EISSN:
1463-9084
ISSN:
1463-9076
Pmid:
33107513
Language:
English
Keywords:
Pubs id:
1140368
Local pid:
pubs:1140368
Deposit date:
2020-12-18

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