Fig. 1: Crystal structures of 3D ABX3 perovskites and calculated energy cost for phase separation of ABX3. | NPG Asia Materials

Fig. 1: Crystal structures of 3D ABX3 perovskites and calculated energy cost for phase separation of ABX3.

From: Phase stabilization of cesium lead iodide perovskites for use in efficient optoelectronic devices

Fig. 1: Crystal structures of 3D ABX3 perovskites and calculated energy cost for phase separation of ABX3.The alternative text for this image may have been generated using AI.

a Schematic overview of the typical ABX3 crystal structure for halide perovskites. The gray, black and pink spheres represent A cations (MA+, FA+, Cs+, and Rb+), B cations (Pb2+ or Sn2+), and X halides (Cl−, Br−, and I−), respectively. b Energy cost for phase separation of ABX3 calculated with the Perdew–Burke–Ernzerhof (PBE) and van der Waals (vdW) exchange–correlation functionals8. A positive value indicates that this composite is stable at T = 0 K. Reprinted with permission from ref. 8. Copyright 2018 IOP Science.

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