Luminescence mechanism in hydrogenated silicon quantum dots with a single oxygen ligand.

ABSTRACT: Though photoluminescence (PL) of Si quantum dots (QDs) has been known for decades and both theoretical and experimental studies have been extensive, their luminescence mechanism has not been elaborated. Several models have been proposed to explain the mechanism. A deep insight into the origin of light emissions in Si QDs is necessary. This work calculated the ground- and excited state properties of hydrogenated Si QDs with various diameters, including full hydrogen passivation, single Si[double bond, length as m-dash]O ligands, single epoxide and coexisting Si[double bond, length as m-dash]O and epoxide structures in order to investigate the dominant contribution states for luminescence. The results revealed that even a single oxygen atom in hydrogenated Si QDs can dramatically change thei

SUBMITTER: Shen H 

PROVIDER: S-EPMC9417146 | biostudies-literature | 2021 Apr

REPOSITORIES: biostudies-literature