论文标题
来自多体扰动理论的共价和范德华CD量子点组件的比较研究
Comparative Study of Covalent and van der Waals CdS Quantum Dot Assemblies from Many-Body Perturbation Theory
论文作者
论文摘要
量子点（QD）组件是由QD骨料制成的纳米结构网络，与离散QD相比，电荷和能量传输效率的提高。使用第一原理多体扰动理论，我们系统地比较了已经经过实验研究的两种类型的CDS QD组件的电子和光学特性：QD凝胶，其中单个QD通过di-或Poly-Sulfide键共价连接，并通过QD nanocrystals进行了QD nanocrystals，其中各个QD可以通过Vivain van van van van van van van van van van van van van van van van van van by。我们的工作说明了当离散QD组装成1D，2D和3D凝胶和纳米晶体时，电子，激子和光学特性如何发展，以及这些系统中的一体和多体相互作用如何影响趋势，因为趋势会随着组装的维度增加而影响。此外，我们的工作揭示了共价二硫化物键在激子定位中的关键作用，这突出了QD凝胶和QD纳米晶体之间的差异。
Quantum dot (QD) assemblies are nanostructured networks made from aggregates of QDs and feature improved charge and energy transfer efficiencies compared to discrete QDs. Using first-principles many-body perturbation theory, we systematically compare the electronic and optical properties of two types of CdS QD assemblies that have been experimentally investigated: QD gels, where individual QDs are covalently connected via di- or poly-sulfide bonds, and QD nanocrystals, where individual QDs are bound via van der Waals interactions. Our work illustrates how the electronic, excitonic, and optical properties evolve when discrete QDs are assembled into 1D, 2D, and 3D gels and nanocrystals, as well as how the one-body and many-body interactions in these systems impact the trends as the dimensionality of the assembly increases. Furthermore, our work reveals the crucial role of the covalent di- or poly-sulfide bonds in the localization of the excitons, which highlights the difference between QD gels and QD nanocrystals.
