First-principles study of electronic and optical properties of II-VI semiconductor nanoplatelets

Abstract

Colloidal II-VI nanocrystals have been actively explored for their size- and shape- dependent electronic and optical properties. Recently, two-dimensional colloidal nanoplatelets (NPLs) have attracted significant interest in the quantum dot research community due to their ultra-narrow photoluminescence emission, strong one-dimensional confinement, and asymmetry formation mechanism. Herein, by means of density functional theory (DFT) calculation, we investigate colloidal CdSe core only and CdSe/CdS core shell NPLs. In particular, we systematically study (1) the materials properties of Cu-doped CdSe NPLs, and (2) the quantum confinement effects in the dielectric profiles of CdSe and CdSe/CdS core shell NPLs. We anticipate that our study will be useful in understanding the physical properties of colloidal II-VI NPLs semiconductor.