Web Release Date: December 6,
Surface Structure of CdSe Nanorods Revealed by Combined X-ray Absorption Fine Structure Measurements and ab Initio Calculations
and
Department of Chemistry, University of California at Berkeley, Berkeley, California 94720, Advanced Light Source, Lawrence Berkeley National Laboratory, Berkeley, California 94720, and Quantum Simulations Group, Lawrence Livermore National Laboratory, Livermore, California 94550
Received: September 13, 2006
Abstract:
We report orientation-specific, surface-sensitive structural characterization of colloidal CdSe nanorods with extended X-ray absorption fine structure spectroscopy and ab initio density functional theory calculations. Our measurements of crystallographically aligned CdSe nanorods show that they have reconstructed Cd-rich surfaces. They exhibit orientation-dependent changes in interatomic distances which are qualitatively reproduced by our calculations. These calculations reveal that the measured interatomic distance anisotropy originates from the nanorod surface.
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