Journal
ACS NANO
Volume 6, Issue 1, Pages 421-430Publisher
AMER CHEMICAL SOC
DOI: 10.1021/nn2037576
Keywords
nanoparticles; surface reconstruction; atomic hopping; ceria; Madelung energy
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Funding
- EPSRC, UK [EP/H001298, EP/H001220]
- NSF NIRT for Nanoceria research (NSF) [CBET 1028996]
- EPSRC [EP/H001220/1, EP/H001298/1, EP/H005838/1] Funding Source: UKRI
- Engineering and Physical Sciences Research Council [EP/H005838/1, EP/H001220/1, EP/H001298/1] Funding Source: researchfish
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Instabilities of nanoscale ceria surface facets are examined on the atomic level. The electron beam and its induced atom migration are proposed as a readily available probe to emulate and quantify functional surface activity, which is crucial for, for example, catalytic performance. In situ phase contrast high-resolution transmission electron microscopy with spherical aberration correction is shown to be the ideal tool to analyze cationic reconstruction. Hydrothermally prepared ceria nanoparticles with particularly enhanced {100} surface exposure are explored. Experimental analysis of cationic reconstruction is supported by molecular dynamics simulations where the Madelung energy is shown to be directly related to the binding energy, which enables one to generate a visual representation of the distribution of reactive surface oxygen.
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