Intrinsic Chiroptical Activity and Excitonic Properties of Group II–VI Magic-Size Clusters,The Journal of Physical Chemistry Letters

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Intrinsic Chiroptical Activity and Excitonic Properties of Group II–VI Magic-Size Clusters
The Journal of Physical Chemistry Letters ( IF 4.8 ) Pub Date : 2024-07-17 , DOI: 10.1021/acs.jpclett.4c01687
Pingping Han ₁ , Xiaowei Yang ₁ , Tingli Du ₁ , Jijun Zhao _{1,

2,

3} , Si Zhou _{1,

2,

3}

Affiliation

Semiconductor magic-size clusters (MSCs), lying in the local minima of the potential landscape, are important intermediates that emerge during the synthesis of colloidal quantum dots. They have definite geometrical and electronic structures, thus serving as atomically precise building blocks for assembling supramolecular structures and devices with unprecedented functionalities. Here we report the intrinsic chiroptical activity in the magic-size cadmium and zinc chalcogenide clusters with magic numbers of 13, 33, and 34 possessing unique core–shell structures. They are responsive to circularly polarized light from the ultraviolet to visible region, with size-tunable energy gap, absorption wavelength, and excitonic characteristics. The origin of the chiroptical activity and the evolution of excitonic states with magic size are disclosed by time-dependent density functional theory calculations within a correlated electron–hole picture. This molecular-level understanding of the photophysical properties of group II–VI MSCs provides essential guidelines for utilizing them for chiral optoelectronics and photonics.

中文翻译：

II-VI族幻尺寸团簇的本征手性光学活性和激子性质

半导体幻尺寸簇（MSC）位于势能景观的局部最小值处，是胶体量子点合成过程中出现的重要中间体。它们具有明确的几何和电子结构，因此可以作为原子精确的构建块来组装具有前所未有的功能的超分子结构和设备。在这里，我们报道了具有独特核壳结构的神奇尺寸的镉和锌硫族化物团簇的固有手性光学活性，其幻数为13、33和34。它们对从紫外到可见光区域的圆偏振光响应，具有尺寸可调的能隙、吸收波长和激子特性。相关电子空穴图像中的时间相关密度泛函理论计算揭示了手性光学活动的起源和具有神奇尺寸的激子态的演化。这种对 II-VI 族 MSC 光物理特性的分子水平理解为将它们用于手性光电子学和光子学提供了重要指导。

更新日期：2024-07-17

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