3-Mercaptopropionic, 4-mercaptobenzoic, and oleic acid-capped CdSe quantum dots : interparticle distance, anchoring groups, and surface passivation

The optoelectronic properties of quantum dots are strongly controlled by the chemical nature of their surface-passivating ligands. In this work, we present the synthesis, characterization, and surface modification of CdSe quantum dots (QDs) and their application in solar cells. CdSe QDs were capped in oleic acid (OA), 3-mercaptopropionic acid (MPA), and 4-mercaptobenzoic acid (MBA). The QDs were characterized by transmission electron microscopy (TEM), UV-Vis absorption and emission spectrophotometry, thermogravimetric analyses, and ¹H and ¹³C NMR. From TEM analysis, it has been observed that interparticle distance can be effectively controlled by the presence of different molecular size ligands. From the ¹H and ¹³C NMR, specific types of interactions between the Cd²+ and the ligands have been observed. Although CdSe/OA presented larger interparticle distance as compared to CdSe/MPA and CdSe/MBA, the photocatalytic oxidation of the thiol groups on the surface of the MPA- and MBA-based quantum dots resulted in poor surface stabilization, ultimately resulting in poor power conversion efficiencies which were ca. 70% smaller than that of OA-based solar cell