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- Title
Determination of nanoparticle structure type, size and strain distribution from X-ray data for monatomic f.c.c-derived non-crystallographic nanoclusters.
- Authors
Cervellino, Antonio; Giannini, Cinzia; Guagliardi, Antonietta
- Abstract
Whole-profile-fitting least-squares techniques are applied to simulated and experimental X-ray diffraction patterns of monatomic face-centred cubic (f.c.c.)-derived non-crystallographic nanoclusters to extra structure and size information. There main structure types have been considered (cuboctahedral. icosahedral and decahedral). Nonocluster structure models have been generated within an original mathematical approach so as to be independent of a specific material. For each structure type, a log-normal size distribution is assumed and a phenomenological function is introduced to model possible addition size related strain effects. The Debye function method (modified to increase computational efficiency) has been used to obtain the diffracted intensities of the nanocluster. Tests revealed the effectiveness of the method to recognize the structure types correctly and to estimate with good accuracy structure concentration and size distribution. Application to a thiol-passivated gold nonoparticle sample is presented.
- Subjects
NANOPARTICLES; OPTICAL diffraction; GOLD; EXAMPLE
- Publication
Journal of Applied Crystallography, 2003, Vol 36, Issue 5, p1148
- ISSN
0021-8898
- Publication type
Article
- DOI
10.1107/S0021889803013542