Abstract The optoelectronic properties of CdTe quantum dots can be controlled through changes in size, geometry or composition and, since their structural and electronic properties are sensitive to modifications of atomic configuration, impurities, and dopants, it is necessary to understand the underlying phenomena employing quantum mechanics principles. To this end, we discuss the optical absorption of CdTe QDs of different sizes and compare the observed results with simulations and calculations employing a density functional theory (DFT) model. The calculated absorption maxima employing the DFT model discussed herein, matches the measured absorption maxima reasonably well, thus, the described approach will enable scientists and technologists tailor optoelectronic responses and reduce development time.

中文翻译：

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碲化镉 (CdTe) 半导体纳米粒子的模拟、合成和光学特性，

摘要 CdTe 量子点的光电特性可以通过尺寸、几何形状或成分的变化来控制，并且由于它们的结构和电子特性对原子构型、杂质和掺杂剂的改变很敏感，因此有必要了解使用量子点的潜在现象。力学原理。为此，我们讨论了不同尺寸的 CdTe QD 的光吸收，并将观察到的结果与采用密度泛函理论 (DFT) 模型的模拟和计算进行了比较。使用本文讨论的 DFT 模型计算出的吸收最大值与测量的吸收最大值相当好，因此，所描述的方法将使科学家和技术人员能够定制光电响应并缩短开发时间。