Constructing Stable and Potentially High-Performance Hybrid Organic-Inorganic Perovskites with "Unstable" Cations.

ABSTRACT: A new family of functional hybrid organic-inorganic perovskites (HOIPs) is theoretically designed based on the following chemical insights: when a proton is adhered to molecules like water or ethanol, the newly formed larger-sized cations (e.g., H₅O₂ ⁺, C₂H₅OH₂ ⁺, and CH₃SH⁺) entail low electron affinities mimicking superalkalis; they are conjugated acids of weak bases that cannot survive in solution, while their chemistry behavior in the HOIP frameworks, however, may be markedly different due to greatly enhanced cohesive energies of the proton, which facilitate the formation of new HOIPs. First-principles computations show that the putative formation reactions for these newly designed HOIPs

SUBMITTER: Yang Q 

PROVIDER: S-EPMC7288242 | biostudies-literature | 2020

REPOSITORIES: biostudies-literature