Probing the Structural Degradation of CsPbBr₃ Perovskite Nanocrystals in the Presence of H₂O and H₂S: How Weak Interactions and HSAB Matter.

ABSTRACT: Structural degradation of all inorganic CsPbBr₃ in the presence of moisture is considered as one of its major limitations to use as an active component in various light-harvesting and light-emitting devices. Herein, we used two similar molecules, H₂O and H₂S, with similar structures, to follow the decomposition mechanism of CsPbBr₃ perovskite nanocrystals. Interestingly, H₂O acts as a catalyst for the decomposition of CsPbBr₃, which is in contrast to H₂S. Our experimental observations followed by density functional theory (DFT) calculations showed that the water molecule is intercalated in the CsPbBr₃ perovskite whereas H₂S is adsorbed in the (100) planes of CsPbBr₃ by a weak elect

SUBMITTER: Fausia KH 

PROVIDER: S-EPMC10882691 | biostudies-literature | 2024 Feb

REPOSITORIES: biostudies-literature