Luminescent properties of polyaniline capped Mn doped ZnS quantum dots
Keywords:
Polyaniline, Zinc sulfide nanoparticles, luminescent properties, Ab-initio computationAbstract
Synthesis of polyaniline capped and Mn doped quantum dots are performed with co-precipitation tech. while structural, optical and morphological properties have been carried out by using Fourier Transform Infrared Spectroscopy (FTIR), X-Ray Diffraction (XRD) study, photoluminescent (PL), absorption spectroscopy and High-Resolution Transmission Electron Microscopy (HR-TEM). Particles size is nearly 2 nm calculated using XRD analysis and nearly 2.5 nm as estimated from HR-TEM study. FTIR spectra confirm that ZnS and polyaniline interact through S-H vibrations. The absorption spectra analysis reflects the occurrence of blue shift at the peak of absorption along with the enhanced band gap of polyaniline capped ZnS(Mn) nanocomposites as compare to bulk ZnS, this confirms quantum confinement effect.
Computation using DFT (B3LYP) 6-31G method shows a strong electronic interaction between the Zn and N creating a large dipole moment of 13.3586 Debye on the interacting site. The red shift has been shown in PL spectra with increasing conc. of polyaniline in ZnS(Mn) quantum dots. The optical behavior of polymer capped ZnS(Mn) quantum dots has been maintained by these PL and other properties due to which flexibility of the nanostructure material may get improved and make it highly preferable for application in foldable display devices and laser diode.
Computation using DFT (B3LYP) 6-31G method shows a strong electronic interaction between the Zn and N creating a large dipole moment of 13.3586 Debye on the interacting site. The red shift has been shown in PL spectra with increasing conc. of polyaniline in ZnS(Mn) quantum dots. The optical behavior of polymer capped ZnS(Mn) quantum dots has been maintained by these PL and other properties due to which flexibility of the nanostructure material may get improved and make it highly preferable for application in foldable display devices and laser diode.
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