Journal
PHYSICAL REVIEW LETTERS
Volume 113, Issue 7, Pages -Publisher
AMER PHYSICAL SOC
DOI: 10.1103/PhysRevLett.113.075501
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Funding
- EPSRC [EP/G070474/1, EP/G070326/1]
- COST Action [MP0903]
- Engineering and Physical Sciences Research Council [EP/G070474/1, EP/G070326/1] Funding Source: researchfish
- EPSRC [EP/G070326/1, EP/G070474/1] Funding Source: UKRI
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High-angle annular dark-field scanning transmission electron microscopy in conjunction with image simulation is an important tool to determine the structure of nanomaterials. We show that molecular dynamics calculations can be combined with multislice image simulations to account for the large effects of surface-enhanced thermal vibrations and structural relaxation on image intensities. Application to a catalytically important gold cluster shows that the image intensity is sensitive to these surface dominated effects with important implications for three-dimensional structural characterizations.
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