Limiting Heterovalent B-Site Doping in CsPbI₃ Nanocrystals: Phase and Optical Stability

Abstract

B-site doping with various metal ions in α-CsPbI3 has been proven to be a potential approach in bringing phase stability to these nanocrystals. However, while the doping of various homovalent ions in replacing Pb(II) has been extensively studied, heterovalent doping was observed to be limited. To understand the impact of heterovalent doping, Sb(III) was chosen here as an effective dopant for occupying the Pb(II) position in CsPbI3 nanocrystals. Importantly, it was observed that insertion of Sb(III) also stabilized the crystal phase of these red-emitting nanocrystals, but only with limited doping. However, with more intake, the cube shape turned to platelet and therefore also reduced the stability. Details of the insights of formation of these doped nanostructures are investigated, and further, these were implemented for photovoltaic application and comparable efficiency was recorded.