Rotational Dynamics of Organic Cations in Formamidinium Lead Iodide Perovskites.

We report results from quasi-elastic neutron scattering studies on the rotational dynamics of formamidinium (HC[NH], FA) and methylammonium (CHNH, MA) cations in FAMAPbI with = 0 and 0.4 and compare it to the dynamics in MAPbI. For FAPbI, the FA cation dynamics evolve from nearly isotropic rotations in the high-temperature ( > 285 K) cubic phase through reorientations between preferred orientations in the intermediate-temperature tetragonal phase (140 K < ⩽ 285 K) to an even more complex dynamics, due to a disordered arrangement of the FA cations, in the low-temperature tetragonal phase ( ⩽ 140 K).

Diffusional Dynamics of Hydride Ions in the Layered Oxyhydride SrVOH.

Perovskite-type oxyhydrides are hydride-ion-conducting materials of promise for several types of technological applications; however, the conductivity is often too low for practical use and, on a fundamental level, the mechanism of hydride-ion diffusion remains unclear. Here, we, with the use of neutron scattering techniques, investigate the diffusional dynamics of hydride ions in the layered perovskite-type oxyhydride SrVOH. By monitoring the intensity of the elastically scattered neutrons upon heating the sample from 100 to 430 K, we establish an onset temperature for diffusional hydride-ion dynamics at about 250 K.

Cation Dynamics and Structural Stabilization in Formamidinium Lead Iodide Perovskites.

The vibrational dynamics of pure and methylammonium-doped formamidinium lead iodide perovskites (FAPbI) has been investigated by high-resolution neutron spectroscopy. For the first time, we provide an exhaustive and accurate analysis of the cation vibrations and underlying local structure around the organic moiety in these materials using first-principles electronic-structure calculations validated by the neutron data. Inelastic neutron scattering experiments on FAPbI provide direct evidence of the formation of a low-temperature orientational glass, unveiling the physicochemical origin of phase metastability in the tetragonal structure.