Disorder to order: how halide mixing in MAPbI<sub>3−<i>x</i></sub>Br<sub><i>x</i></sub> perovskites restricts MA dynamics
Kostas Fykouras, Jonathan Lahnsteiner, Nico Leupold, Paul Tinnemans, Ralf Moos, Fabian Panzer, G. A. de Wijs, Menno Bokdam, Helen Grüninger, Arno P. M. Kentgens
Abstract
H dipolar coupling and thus the MA dynamics with the local composition and reproduces the experimental data over the whole composition range. We show that the dominant interaction between the MA cations and the Pb-X lattice that influences the cation dynamics is the local electrostatic potential being inhomogeneous in mixed halide systems. As such, we generate a fundamental understanding of the predominant interaction between the MA cations and the inorganic sublattice, as well as MA dynamics in asymmetric halide coordinations.
Topics & Concepts
HalideChemistryChemical physicsAnisotropyInorganic chemistryPhysicsOpticsPerovskite Materials and ApplicationsSolid-state spectroscopy and crystallographyMachine Learning in Materials Science