Abstract

A simple chemical route of sol gel method has been followed to synthesize cadmium sulphide (CdS) nanoparticles and cadmium sulphide@zincphosphate (CdS@Zn₃(PO₄)₂ nanocomposites. The structural, morphological, and optical studies have been carried out by using X-ray powder diffraction, FESEM, TEM, PL, UV and CIE graphs. A density functional theory (DFT) study has also been done to compare the experimental and theoretical data. The obtained results show that both the results are in good agreement as they follow the same trend towards the band gap calculations. Moreover, EDS and FTIR techniques have been used to obtain information about the elemental composition and functional groups associated with the synthesized nanoparticles. CdS@Zn₃(PO₄)₂ nanocomposites overcome the problem of agglomeration which is generally associated with CdS nanoparticles. PL of synthesized nanocomposites shows white emission whereas reddish emission is shown by CdS nanoparticles.

中文翻译：

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溶胶-凝胶法制备CdS和CdS @ Zn 3（PO 4）2纳米复合材料：DFT研究和温度对带隙的影响

摘要

遵循溶胶-凝胶法的简单化学路线，合成了硫化镉（CdS）纳米颗粒和硫化镉@磷酸锌（CdS @ Zn ₃（PO ₄）_2）纳米复合材料，并通过结构，形态和光学性质进行了研究。 X射线粉末衍射，FESEM，TEM，PL，UV和CIE图，还进行了密度泛函理论（DFT）研究以比较实验数据和理论数据，所得结果表明，两者的结果吻合良好。它们沿着带隙计算遵循相同的趋势，此外，EDS和FTIR技术已用于获得有关与合成纳米粒子相关的元素组成和官能团的信息CdS @ Zn ₃（PO ₄）₂纳米复合材料克服了通常与CdS纳米粒子有关的团聚问题。合成的纳米复合材料的PL显示白色发射，而CdS纳米颗粒显示红色发射。