Coupled Dynamic Characteristics of Mobile Ions in Halide Perovskites

• DOI: 10.1021/acs.jpclett.4c00642
• Publication Date: 2024-05-23T12:04:35Z
• Authors: Xinying Gao; Yehui Zhang; Tingbo Zhang; Yilei Wu; Qun Ji; Ming-Gang Ju; Jinlan Wang

Mixed perovskites show immense promise for diverse applications owing to their exceptional compositional flexibility and outstanding optoelectronic performance. Nevertheless, a significant hurdle in widespread use is susceptibility instability. Some mixed exhibit tendency segregate into regions with varying halide content, negatively impacting the material's electronic properties impeding its overall advancement. This study focuses on investigating lattice A-site cation dynamics mixed-halide as well relationship between stability dynamic of perovskites. Our findings reveal an intrinsic link kinetics organic molecules halogen ion migration. The ions linearly positively correlated radius, number H atoms, moment inertia molecules. Organic lower rotational effectively suppress cationic kinetic activity, enhancing perovskite systems. inhibition further impedes migration hinders segregation process. presence dominant I/MA vacancies accelerates rotation MA ions. coupled behavior vacancy concentrations cations/X-site anions within inorganic framework significantly impacts photovoltaic performance these