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 a 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 NCs’ photochemical stability and optoelectronic performance.

核-壳异质结构纳米晶体 ( h -NCs)的电势分布和能级偏移决定了h -NC 固体的光物理性质和电荷传输特性。然而，无重金属 III-V-II-VI h -NCs 的材料选择有限，这对全面控制电位分布提出了挑战。在此，我们提出了一种通过控制 III-V-II-VI h -NC界面处的偶极子密度来实现这种控制的方法。界面处的可控异价性是导致真空能级偏移的界面偶极子密度的原因，为控制h -NC 的光学和电学特性提供了一个额外的旋钮。的合成具有原子精度的h -NC 使我们能够将界面偶极矩与 NC 的光化学稳定性和光电性能相关联。