Structural and optical studies of CdTe nanocrystals embedded into polymer host N. TOUKAa,*, B. BOUDINEb, O. HALIMIb, M. SEBAISb University of BOUIRA, Faculty of Sciences, BOUIRA 10000, Algeria b Laboratory of Crystallography, Department of Physics, University of Constantine 1, Road Ain El bey 25000, Algeria a The organic amorphous matrix of polystyrene (PS) is transparent in the ultraviolet-visible area and so it allows the study of optical properties of CdTe nanocrystals in this field. The thin films of PS/CdTe nanocomposite were prepared using a colloidal solution and were deposited by spin coating technique on glass substrate. A size distribution of particles in solid matrix was observed in XRD/SEM which were supported by UV/VIS optical absorption spectra. The investigation of samples by X-ray shows diffraction peak of CdTe semiconductor with cubic zinc blend structure. The optical absorption spectra shows a large size distribution of the CdTe crystallites and a shift of the band gap to the high energies compared to one of CdTe bulk crystal. The photoluminescence spectrum shows a wide emission band at 650 nm attributed to the radiative band to band transitions in the CdTe nanocrystallites. These results confirm the dispersion of CdTe nanocrystallites in the amorphous polymer PS and reveal optical activity of the fabricated PS/CdTe nanocomposite. Keywords: Nanocrystals CdTe, Polystyrene (PS), Quantum confinement, Photoluminescence. 1. Introduction II-VI classes of semiconductor Nano Crystal are extensively studied for their optoelectronic, photochemical, and nonlinear optical properties [1, 2, 3]. Semiconductor nano crystals, like CdTe, show size dependent optical properties and are very important in basic nano science research, colloidal science, biomedical labeling, light emitting diodes, solar cells, and lasers [4-5]. In general, semiconductor nano crystals show novel optical and electronic properties when they have size comparable to, or smaller than, the dimensions of the exciton within their corresponding bulk material. This allows us to create unique properties for the nano crystal by engineering the size and composition and the chemical functionality of their surrounding medium. Organic– inorganic hybrid nanostructures have attracted increasing attention in the fabrication of various devices, ranging from optoelectronics to gas sensors [6–7]. Especially, hybrid systems composed of inorganic nanoparticles embedded in polymer matrix have been considered as available nanostructures for next generation devices since they could possess the advantages of mixing the organic materials, such as flexibility and light weight, and the inorganic materials such as heat and chemical resistances. Moreover, the incorporation of functional inorganic materials in polymer matrix is expected as smart materials because polymers are capable of fabricating multifunctional wearable devices. We report in this work the synthesis, the structural characterization, and optical properties of CdTe-NCs dispersed into a transparent polystyrene matrix by colloidal solution and deposited on a glass substrate using spin coating technique. Structural characterization is achieved though XRD and SEM, while the optical properties are determined using optical absorption and photoluminescence. 2. Experimental Organic–inorganic hybrid nanostructures PS/CdTeNCs were prepared by colloidal solution. A host solution was prepared by dissolving amorphous polymer Polystyrene (PS) in chloroform (CHCl3) with a concentration of 0.02 g/ml. This solution was stirred at 50°C for 2 hours. A guest solution was prepared with 0.20 g of mechanically crushed NC’s CdTe powder dispersed in 10 ml of chloroform. Finally, both solutions were mixed and homogenized by magnetic agitation for 24 h. Glass slabs used as a substrate were degreased, rinsed thoroughly with distilled water. Thin films were deposited by spin coating technique performed under various conditions depending on the viscosity of the mixture. The rotational speed ranged from 300 to 2000 rpm in order to control the thickness. All experiments were performed at room temperature and ambient pressure. X-ray diffraction patterns of the films were measured using an X-ray diffractometer model D8 Advance, Bruker with Ni filtered Cu radiation generated at 40 kV and 30 mA (CuKα =1.542 A) as the X-ray source. The absorption spectrum of the thin films was recorded using a UVvisible/NIR spectrophotometer (Perking Elmer, model Lambda 19). Photoluminescence data were obtained by exciting the sample at room temperature with a 350 nm radiation generated by an Argon laser. 3.1. X-ray diffraction analysis The X-ray diffraction of the Nanocomposite CdTe-PS (Fig. 1) is shown in Figure 1. XRD pattern exhibits polycrystalline nature and a major diffraction peak is observed at 2θ = 23° which corresponds to the cubic (111) orientation. The presence of the predominant peak at 2θ = 23° suggests that the NC’s CdTe dispersed in PS is of zinc blende structure with a preferential orientation along the (111) plane [8]. The average radius of the dispersed particles in the PS matrix was estimated using the Scherrer formula (E 1) [9] in which the crystallites are assumed to possess a spherical shape. 2R 0.89 cos The distinct lowest energy features in the spectra indicate a narrow size distribution and high crystallinity of the NCs, in agreement with the results of SEM where we also notice the good dispersion of NC’s of CdTe in the matrix (Fig. 3). 627nm Optical density (a. u) 3. Results and discussion (1) 600 660 720 780 wavelength (nm) R is particle radius, λ corresponds to CuKα tube wavelength emission, θ is the diffracted angle and ∆θ the full width at half maximum (FWHW) in radians of the peak. The calculated average value of the size of the particles was about 16 nm justifying hence the nanometric size of the particles. Fig. 2. Absorption spectra of CdTe NCs-PS composite thin film. Intensity (a. u) 23° (111) Fig. 3. SEM images of the CdTe NC’s dispersed in PS matrix. 3. 4. Photoluminescence analysis 30 60 90 2 theta (Degrees) Fig. 1. X-ray diffraction patterns of CdTe – PS nanocomposite thin film. 3. 2. Absorption optical analysis Polystyrene polymer was used as host matrix because its transparency in the visible wavelength range. Fig. 2 shows the optical absorption spectrum of the nanocomposite NCs CdTe-PS thin film. The significant blue shift of the lowest energy absorption peak at 627 nm (1.97 eV) from the bandgap energy of the bulk CdTe 1.43 eV [10] evidences strong confinement of carriers in these NCs. Based on the models reported in literature [9,11], the average diameter of the NCs dispersed in PS matrix was estimated at 3.5 nm. Photoluminescence (PL) of the nanocomposite PS/ NCs-CdTe were carried out at room temperature (300 K) using 514.5 nm exciting radiation available from a Hg-Xe lamp. PL spectra exhibits intense emission bands (Fig. 4) at 627 nm with the full width at half maximum (FWHW) of 110 nm was ascribed to the interband exciton recombination of the NC’s CdTe. [11] N. Touka, B. Boudine, O. Halimi, M. Sebais, Optoelectronics and Advanced Materials – Rapid Communications 6, 583 (2012). 15000 Intensity PL (u.a) _________________________ *Corresponding author: Nassimtouka@yahoo.fr 10000 5000 0 1,2 1,5 1,8 2,1 2,4 2,7 3,0 Energy eV) Fig. 4. Photoluminescence spectra of CdTe NCs – PS composite. 4. Conclusions The preparation of CdTe NCs using colloidal solution and their good incorporation in a polymer matrix is reported and supported by complementary investigations. The investigation of samples by X-ray shows diffraction peak of CdTe-NCs compound with cubic zinc blend structure. These CdTe-NCs exhibit both a blue shift and discrete energy states at low crystallites size. A strong quantum confinement was established. Photoluminescence spectra of the CdTe NCs – Polymer exhibits intense emission bands due to HOMO – LUMO transition. These results confirm the dispersion of CdTe nanocrystals in the amorphous polymer PS and reveal optical activity of the fabricated CdTe/PS nanocomposite in the visible area. References [] M.Bawandi, M. Steigerwald, I. Brus, Annu. Rev. Phys. Chem. 41, 477 (1990). [2] P. Alivisatos, Science 271, 933 (1996). [3] G. Markovich, C. Collier, S. Henrichs, F. Remacle, R. Levine, J. Heath, Acc. Chemm. 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