3D Plot from Scientific Research

Coloured spheres for MAPbBr3 depict the spatial distributions of the electric polarization vector probability density of A-site cations, as derived from the MD trajectories. The A-site cation, and consequently the associated probability density spheres, occupy the space within the cuboctahedral cavity defined by the inorganic octahedra, as shown. The insets illustrate the orientation of the mapped vectors (with arrows) relative to the geometry of the MA and FA molecules.

DOI