Interface polarization in heterovalent core/shell nanocrystals

The potential profile and the energy level offset of core/shell heterostructured nanocrystals (h-NCs) determine the photophysical properties and the charge transport characteristics of h-NC solids. However, limited material choices for heavy metal-free III-V/II-VI h-NCs pose challenges in comprehensive control of the potential profile. Herein, we present an approach to such control by steering dipole densities at the interface of III-V/II-VI h-NCs. The controllable heterovalency at the interface is responsible for interfacial dipole densities that result in the vacuum-level shift, providing an additional knob for the control of optical and electrical characteristics of h-NCs. The synthesis of h-NCs with atomic precision allows us to correlate interfacial dipole moments with the nanocrystals' photochemical stability and optoelectronic performance.

The description was referred to the abstract of the original paper. All numerical data of the main figures in the articles are included in this data repository.
In particular, each tab of the data file indicates each panel in the main figures.
Please refer to the main research article.

核壳异质结构纳米晶（core/shell heterostructured nanocrystals，h-NCs）的电势分布与能级偏移，决定了该类纳米晶固体的光物理性质与电荷传输特性。然而，无重金属III-V/II-VI族核壳异质纳米晶的材料选择受限，给其电势分布的全面调控带来了挑战。在此，我们提出一种调控策略，通过精准调控III-V/II-VI族核壳异质纳米晶的界面偶极密度来实现此类调控。界面处可调控的异价特性可产生界面偶极密度，进而引发真空能级偏移，为调控该类纳米晶的光学与电学特性提供了额外的调控手段。借助原子级精准合成的核壳异质纳米晶，我们能够将界面偶极矩与纳米晶的光化学稳定性及光电器件性能建立关联。
本数据集描述参考自该原创研究论文的摘要。该论文主图中的全部数值数据均收录于本数据仓库中。
具体而言，数据文件的每个标签页对应主图中的一个子图面板。
请参阅该原创研究论文。