Cation Dynamics as Structure Explorer in Hybrid Perovskites-The Case of MAPbI₃.

ABSTRACT: Hybrid organic-inorganic perovskites exhibit remarkable potential as cost-effective and high-efficiency materials for photovoltaic applications. Their exceptional chemical tunability opens further routes for optimizing their optical and electronic properties through structural engineering. Nevertheless, the extraordinary softness of the lattice, stemming from its interconnected organic-inorganic composition, unveils formidable challenges in structural characterization. Here, by focusing on the quintessential methylammonium lead triiodide, MAPbI₃, we combine first-principles modeling with high-resolution neutron scattering data to identify the key stationary points on its shallow potential energy landscape. This combined experimental and computational approach enables us to bench

SUBMITTER: Druzbicki K 

PROVIDER: S-EPMC10768891 | biostudies-literature | 2024 Jan

REPOSITORIES: biostudies-literature