STEM Electron Diffraction and High-Resolution Images Used in the Determination of the Crystal Structure of the Au144(SR)60 Cluster

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• 作者：Daniel Bahena ; Nabraj Bhattarai ; Ulises Santiago ; Alfredo Tlahuice ; Arturo Ponce ; Stephan B. H. Bach ; Bokwon Yoon ; Robert L. Whetten ; Uzi Landman ; Miguel Jose-Yacaman
• 刊名：The Journal of Physical Chemistry Letters
• 出版年：2013
• 出版时间：March 21, 2013
• 年：2013
• 卷：4
• 期：6
• 页码：975-981
• 全文大小：406K
• 年卷期：v.4,no.6(March 21, 2013)
• ISSN：1948-7185

文摘

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(SCH₂CH₂Ph)₆₀ cluster.

Keywords:

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