Effect of Ligands and Solvents on the Stability of Electron Charged CdSe Colloidal Quantum Dots.

ABSTRACT: Many colloidal quantum dot (QD)-based devices involve charging of the QD, either via intentional electronic doping or via electrical charge injection or photoexcitation. Previous research has shown that this charging can give rise to undesirable electrochemical surface reactions, leading to the formation of localized in-gap states. However, little is known about the factors that influence the stability of charged QDs against surface oxidation or reduction. Here, we use density functional theory to investigate the effect of various ligands and solvents on the reduction of surface Cd in negatively charged CdSe QDs. We find that X-type ligands can lead to significant shifts in the energy of the band edges but that the in-gap state related to reduced surface Cd is shifted in the same direction

SUBMITTER: du Fosse I 

PROVIDER: S-EPMC8573769 | biostudies-literature | 2021 Nov

REPOSITORIES: biostudies-literature