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Title: Experimental and theoretical XANES of CdS{sub x}Se{sub 1−x} nanostructures

The morphology and electronic properties of the CdS{sub x}Se{sub 1−x} nanostructures with varying alloy compositions have been acquired experimentally by X-ray Absorption Near-Edge Structures (XANES) at the Cd, Se and S K-edge and L{sub 3,2}-edges. The theoretical XANES spectra have been calculated using the density functional approach. It is found that the optical band-gap emission of these CdS{sub x}Se{sub 1−x} nano-ribbons can be tuned to the range between that of pure CdS (2.43 eV) and CdSe (1.74 eV) by changing the S and Se ratio. This gradual shift in (optical and structural) properties from CdS character to CdSe character is also seen in the electronic structures. The densities of states and band structures show that with the addition of Se replacing S in CdS, the band gap shrinks. The K and L{sub 3,2} edges of Cd, Se, and S of the XANES structures of both the CdS and CdSe in B4 (wurtzite) and B3 (cubic zinc-blende) structures have been calculated and compared.
Authors:
;  [1] ;  [2] ;  [3] ;  [4]
  1. Department of Chemistry, Western University, London, ON N6A 5B7 (Canada)
  2. Hasylab, DESY, 22607 Hamburg (Germany)
  3. Institute of Functional Nano and Soft Materials, Soochow University, Suzhou, Jiangsu (China)
  4. Canadian Light Source, Saskatoon, SK S7N 2V3 (Canada)
Publication Date:
OSTI Identifier:
22265941
Resource Type:
Journal Article
Resource Relation:
Journal Name: AIP Conference Proceedings; Journal Volume: 1590; Journal Issue: 1; Conference: International conference on electronic, photonic, plasmonic and magnetic properties of nanomaterials, London (Canada), 12-16 Aug 2013; Other Information: (c) 2014 AIP Publishing LLC; Country of input: International Atomic Energy Agency (IAEA)
Country of Publication:
United States
Language:
English
Subject:
77 NANOSCIENCE AND NANOTECHNOLOGY; ABSORPTION; ABSORPTION SPECTROSCOPY; ALLOYS; CADMIUM SELENIDES; CADMIUM SULFIDES; DENSITY; DENSITY FUNCTIONAL METHOD; ELECTRONIC STRUCTURE; EMISSION; NANOSTRUCTURES; SPECTRA; X RADIATION; X-RAY SPECTROSCOPY; ZINC SULFIDES