Colloidal Nanocrystals by Design

Density Functional Theory investigations have recently emerged as a most valuable tool to understand in atomistic details how tuning and modulating the ionic composition of semiconductor materials affect the emission and absorbance of the corresponding colloidal nanocrystals, ultimately providing guidance for the selection of suitable precursors in their syntheses. In this view, the third year of my doctorate studies focused on acquiring and reinforcing a detailed knowledge of the structural and electronic properties of two emerging classes of semiconductor materials in the nanocrystals field - double perovskites and «low-dimensional» metal halides.