Lead Selenide Nanomaterials: Hydrothermal Synthesis, Characterization, Optical Properties and DFT Calculations

Abstract

Well-defined crystalline PbSe nanocubes and nanospheres have been synthesized through a simple hydrothermal method by using Pb2+- EDTA and Pb2+- oleylamine complexes at 180°C for different reaction times. Composition and morphology of the samples have been characterized by means of XRD and SEM. Gradual release process of Pb2+ from Pb2+-EDTA and Pb2+-oleylamine complexes can adjust the growth rate. Both EDTA and oleylamine play important roles in the crystal growth of PbSe nanomaterials. The electronic band structure along with density of states (DOS) calculated by the DFT method indicates that PbSe have a direct energy band gap of 0.51 eV. The optical properties, including the dielectric and absorption of the compounds are calculated by DFT method and analyzed based on the electronic structures. Two absorption bands have been observed in the absorption spectra identified from density of state (DOS) calculations.