Lead sulfide (PbS) nanoparticles were synthesized by chemical methods with different sizes and different capping ligands (oleic acid, myristic acid, and hexanoic acid), avoiding ligand exchange procedures, to study the effect of characteristics of the capping ligands on their energy levels and band gap values. Experimental results (UV–vis–NIR, Fourier transform infrared, and Raman spectroscopies, cyclic voltammetry, transmission electron microscopy, and electron energy loss spectroscopy) showed a marked influence of the capping ligand nature on the electro-optical properties of PbS nanoparticles with a very similar size. Differences were observed in the atomistic arrangement on the nanoparticle surface and phonon vibrations with the different capping ligands. These observations suggest that the electro-optical properties of PbS nanoparticles are not only determined by their size, through quantum confinement effects, but also strongly affected by the atomistic arrangement on the nanoparticle surface, which is determined by the capping ligand nature.

中文翻译：

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通过表面原子排列确定封端配体对PbS纳米粒子的带隙和电子能级的影响

通过化学方法合成具有不同尺寸和不同封端配体（油酸，肉豆蔻酸和己酸）的硫化铅（PbS）纳米颗粒，避免了配体交换程序，以研究封端配体的特性对其能级和能量的影响。带隙值。实验结果（UV-vis-NIR，傅立叶变换红外光谱和拉曼光谱，循环伏安法，透射电子显微镜和电子能量损失谱）表明，封端配体的性质对PbS纳米粒子的电光性质有显着影响。尺寸非常相似。观察到在纳米颗粒表面上的原子排列和具有不同封端配体的声子振动方面的差异。