The perovskite photovoltaic field has developed rapidly within a decade. In particular,
formamidinium (FA)‐rich perovskite allows a broad absorption spectrum, and is considered …

Metal halide perovskites exhibit enhanced photoluminescence and long-lived carriers in
experiments under strain. Using ab initio nonadiabatic molecular dynamics, we demonstrate …

The soft lattices of lead-halide perovskites (LHPs) are responsible for their unique material
properties, including polaron formation, defect tolerance, anharmonic vibration, and large …

Lead halide perovskites constitute a very promising class of materials for a broad range of
solar and optoelectronic applications. Perovskites exhibit many unusual properties, and …

Organic cations are believed to have little influence on the charge carrier lifetime in hybrid
organic–inorganic perovskites. Experiments defy this expectation. We consider …

Organic-inorganic perovskite materials have attracted significant attention in solar
technologies due to their extraordinary structural, electrical, and optical features. This study …

Unsupervised machine learning combined with time-dependent density functional theory
reveals the significant influence of organic cation on the charge carrier lifetime of FAPbI3 …

Hybrid organic–inorganic perovskites exhibit extraordinary photovoltaic performance. This is
believed to arise from almost liquid-like low-energy interactions among lattice ions and …

By implementing a novel algorithm that realizes the constraints of certain normal modes of
interest and using nonadiabatic molecular dynamics for the CsPbBr3, we explicitly …

Experiments show that two-dimensional twin boundaries (TBs) defects are benign to the
excited-state lifetime of metal halide perovskites and solar cells performance. However, the …