Analyzing the compatibility and optimization of organic and Al2CdX4 chalcogenides materials as charge transport layers for planar and inverted MASnI3 perovskites

Abstract

Perovskite solar cells (PSCs) are greatly affected by charge transport layers' (CTLs) capacity to maintain stability and efficiency. By combining various CTLs with perovskites, one may create an electric field and energy band alignment that is completely unique. The optoelectrical characteristics of PSC are significantly altered by them. For perovskites, finding the correct CTL is of the utmost importance. The CH3NH3SnI3 PSC is shown here using a SCAPS-1D model with four CTLs. Organic and Al2CdX4 chalcogenide CTLs have been investigated because to their environmentally acceptable nature, electric/thermal conductivity, chemical stability, and carrier mobility. Both the planar (n-i-p) and inverted (p-i-n) configurations are used to analyze the PSCs. A methodical strategy has been used to examine the CTLs' compatibility with the active layer, as well as their impact on the electric field, recombination at heterojunctions, band alignment, absorption, transmissivity, and quantum efficiency in both designs. Optimizing the design for layer thickness and doping has been done to further boost the efficiency. It has also been researched how PSC performance is affected by temperature, reflection, flaws, and job functions. Results show that Alq3 (Al(C9H6NO)3) does better in a planar environment, but Al2CdSe4 does better in an inverted environment. All the CTLs depicts better compatibility with MASnI3 active layer and gives good results generally in both PSC configurations. This research illustrates that strategic selection and alignment of CTLs can substantially elevate PCE with the best-performing n–i–p structure is Alq3/Per/Al2CdTe4 with PCE of 28.16 %, while the best p–i–n is Alq3/Per/Al2CdSe4 and PEIE/Per/Al2CdSe4 with PCE of 24.39 % each.