Comparative Characterization of Relaxed Organic–Inorganic Hybrid Perovskite Structures Using Molecular Dynamic Simulation and X-ray Diffraction Data

Аннотация

Materials based on organic–inorganic hybrid perovskites MAPbX₃ (X = I, Cl, or Br) having unique adsorption characteristics have been considered. Theoretical investigation data obtained by molecular modeling and results of X-ray diffraction measurements of the hybrid organic–inorganic perovskite structures based on methylammonium lead trichloride in different temperature ranges have been analyzed.Z