The Electronic Properties and L3 XANES of Au and Nano-Au
Y. M. Yiu *, Peng Zhang, and T. K. Sham
Department of Chemistry, University of Western Ontario, CA
Keywords: Nano Gold, Au, XANES, DFT, and GGA.
The electronic properties of Au crystal and nano Au have been investigated by theory and experiment. Molecularly capped nano-Au was synthesized using the two-phase method. Au nano-particles have been characterized by X-Ray Diffraction (XRD) and Transmission Electron Microscopy (TEM). They retain the fcc crystal structure. Their sizes have been determined to be in a range from 5.5 nm to 1.7 nm. The L3 X-ray Absorption Near Edge Structure (XANES) of nano-Au and Au foil have been recorded using synchrotron radiation, and examined by theoretical calculation  based on the first principles [2,3]. Both theory and experiment show that the nano-Au particles have essentially all the Au L3 XANES features of bulk Au in the near edge region with less pronounced resonance peaks. It is also shown that nano Au exhibits lower 4f binding energy than bulk Au in good agreement with quantum confined Au systems reported previously [3,4].
NSTI Nanotech 2003 Conference Technical Program Abstract