Abstract
Determination of the total structure of molecular nanocrystals is an outstanding experimental challenge that has been met, in only a few cases, by single-crystal X-ray diffraction. Described here is an alternative approach that is of most general applicability and does not require the fabrication of a single crystal. The method is based on rapid, time-resolved nanobeam electron diffraction (NBD) combined with high-angle annular dark field scanning/transmission electron microscopy (HAADF-STEM) images in a probe corrected STEM microscope, operated at reduced voltages. The results are compared with theoretical simulations of images and diffraction patterns obtained from atomistic structural models derived through first-principles density functional theory (DFT) calculations. The method is demonstrated by application to determination of the structure of the Au144(SCH 2CH2Ph)60 cluster.
Original language | English (US) |
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Pages (from-to) | 975-981 |
Number of pages | 7 |
Journal | Journal of Physical Chemistry Letters |
Volume | 4 |
Issue number | 6 |
DOIs | |
State | Published - Mar 21 2013 |
Externally published | Yes |
Keywords
- aberration-corrected microscopy
- first-principles density functional theory
- low voltages
- metal nanoparticles
- structure determination
ASJC Scopus subject areas
- General Materials Science
- Physical and Theoretical Chemistry