Fluorescent Alloy CsPb x Mn1- x I3 Perovskite Nanocrystals with High Structural and Optical Stability

ACS Energy Lett. 2017 Sep 8;2(9):2183-2186. doi: 10.1021/acsenergylett.7b00707. Epub 2017 Aug 28.

Abstract

CsPbI3 nanocrystals are still limited in their use because of their phase instability as they degrade into the yellow nonemitting δ-CsPbI3 phase within a few days. We show that alloyed CsPb x Mn1-x I3 nanocrystals have essentially the same optical features and crystal structure as the parent α-CsPbI3 system, but they are stable in films and in solution for periods over a month. The stabilization stems from a small decrease in the lattice parameters slightly increasing the Goldsmith tolerance factor, combined with an increase in the cohesive energy. Finally, hybrid density functional calculations confirm that the Mn2+ levels fall within the conduction band, thus not strongly altering the optical properties.