Surface Structure of CdSe Nanorods Revealed by Combined X-ray Absorption Fine\nStructure Measurements and ab Initio Calculations

We report orientation-specific, surface-sensitive structural characterization of colloidal CdSe nanorods with\nextended X-ray absorption fine structure spectroscopy and ab initio density functional theory calculations.\nOur measurements of crystallographically aligned CdSe nanorods show that they have reconstructed Cd-rich\nsurfaces. They exhibit orientation-dependent changes in interatomic distances which are qualitatively reproduced\nby our calculations. These calculations reveal that the measured interatomic distance anisotropy originates\nfrom the nanorod surface.