Seminarium Optyczne

Hybrid organic-inorganic perovskites show impressive potential forphotovoltaic applications and currently give rise to one of the mostvibrant research areas in the field. Until recently, the electrostaticinteractions between their organic and inorganic components wereconsidered mostly for stabilization of the fragile perovskitestructure. We study the effect of local interactions of polar C-Nbonds in the organic layer on the nonradiative electron-holerecombination in the recently reported room-temperature ferroelectrichybrid perovskite, (benzylammonium)2PbCl4. Using non-adiabaticmolecular dynamics and real-time time-dependent density functionaltheory, we show that ferroelectric alignment of the polar groupsweakens the electron-phonon non-adiabatic coupling and inhibits thenonradiative charge recombination. The effect is attributed tosuppression of contributions of higher frequency phonons to theelectron-phonon coupling.