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Quantitative nanoparticle structures from electron crystallography data
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DOI：10.1103/PhysRevB.81.134104.png)
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Abstract
En 中文
We describe the quantitative refinement of nanoparticle structures from gold nanoparticles probed by electron diffraction in the ultrafast electron crystallography (UEC) geometry. We establish the equivalence between the modified radial distribution function employed in UEC and the atomic pair distribution function (PDF) used in x-ray and neutron powder-diffraction analysis. By leveraging PDF refinement techniques, we demonstrate that UEC data are of sufficient quality to differentiate between cuboctahedral, decahedral, and icosahedral nanoparticle models for the ground-state (dark) structures of the gold nanoparticles. Furthermore, we identify the signatures of systematic errors that may occur during data reduction and show that atomic positions refined from UEC are robust to these errors. This work serves as a foundation for reliable quantitative structural analysis of time-resolved laser-excited nanoparticle states.
Keywords:
PAIR DISTRIBUTION FUNCTION
LEAST-SQUARES REFINEMENT
X-RAY
MOLECULAR STRUCTURES
DIFFRACTION
DYNAMICS
SIZE
POLYCRYSTALLINE
CRYSTALLINE
TRANSITIONS
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