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Title: A comparative study of structural and optical properties of Cu{sub 2}ZnSnS{sub 4} nanocrystals for photovotaic applications

The Cu{sub 2}ZnSnS{sub 4} (CZTS) nanocrystals were successfully synthesized by hot injection method. The synthesized nanocrystals were characterized by the X-ray diffraction (XRD) and UV–visible spectrometer. X-ray diffraction studies reveal polycrystalline films exhibiting kesterite structures with preferential orientation along (112) direction. From UV studies revealed that the CZTS nanocrystals band gap was tuned between 1.6 eV (for 1 hour, stirring) and 1.4 eV (for 2 hours stirrer) and its compared, structural and optical properties of CZTS by density functional theory based on Wien2K (FP-LAPW) simulation employing a combined Tran-Blaha modified Becke-Johnson (TB-MBJ) potential with scissor corrections. From this calculation, it was found that the compound is in direct nature. The estimated lattice constant and bandgap value is in good agreement with earlier reported results. The optical band-gap energy of the CZTS nanocrystals is 1.4 eV, which is quite close to the optimum value for solar cell.
Authors:
;  [1] ;  [2]
  1. Department of Applied Physics, Indian School of Mines, Dhanbad -826004, Jharkhand (India)
  2. Crystal Growth Centre, Anna University, Chennai-600025 (India)
Publication Date:
OSTI Identifier:
22269325
Resource Type:
Journal Article
Resource Relation:
Journal Name: AIP Conference Proceedings; Journal Volume: 1591; Journal Issue: 1; Conference: 58. DAE solid state physics symposium 2013, Patiala, Punjab (India), 17-21 Dec 2013; Other Information: (c) 2014 AIP Publishing LLC; Country of input: International Atomic Energy Agency (IAEA)
Country of Publication:
United States
Language:
English
Subject:
36 MATERIALS SCIENCE; 77 NANOSCIENCE AND NANOTECHNOLOGY; DENSITY FUNCTIONAL METHOD; EV RANGE; FILMS; INJECTION; LATTICE PARAMETERS; NANOSTRUCTURES; OPTICAL PROPERTIES; POLYCRYSTALS; SIMULATION; SOLAR CELLS; X-RAY DIFFRACTION