STEM electron diffraction and high-resolution images used in the determination of the crystal structure of the Au144(SR)60 cluster

Daniel Bahena, Nabraj Bhattarai, Ulises Santiago, Alfredo Tlahuice, Arturo Ponce, Stephan B.H. Bach, Bokwon Yoon, Robert L. Whetten, Uzi Landman, Miguel Jose-Yacaman

Research output: Contribution to journalArticlepeer-review

100 Scopus citations

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 languageEnglish (US)
Pages (from-to)975-981
Number of pages7
JournalJournal of Physical Chemistry Letters
Volume4
Issue number6
DOIs
StatePublished - Mar 21 2013
Externally publishedYes

Keywords

  • aberration-corrected microscopy
  • first-principles density functional theory
  • low voltages
  • metal nanoparticles
  • structure determination

ASJC Scopus subject areas

  • Materials Science(all)
  • Physical and Theoretical Chemistry

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