CTL have remarkable influence on the stability and efficiency of PSC. Different CTL combination used with the perovskite forms unique energy band alignment and electric field. They have significant effects on the optoelectrical properties of PSC. Identifying the right CTL for perovskite is crucial. In this work, the PSC of CH3NH3GeI3 are modeled in SCAPS‐1D with 13 CTL. Because of their high carrier‐mobility, chemical‐stability, and excellent electric/thermal conductivity, copper, kesterite and carbon CTL have been selected. The PSC was analyzed in planar(n‐i‐p) and inverted(p‐i‐n). A systematic approach has been adopted to analyze the influence of CTL on the quantum‐efficiency, absorption, transmissivity, band‐alignment, electric‐field, recombination, and IV‐characteristics in both architectures. To further enhance the efficiency, design optimization of layer thickness and doping has been carried‐out. Moreover, the effect of defects, temperature, reflection, and front/back workfunctions on the performance of PSC has also been studied. Based on the results PCBM performed better in planar while C60 performed better in inverted. Most of the Cu‐HTL performed better in inverted architecture while most of the kesterite‐HTLs performed better in planar architecture. The best‐performing inverted perovskite structures was PCBM/Per/CuAlO2 with PCE of 24.32 %, while the best planar structure was C60/Per/CuAlO2 with PCE of 14.82 %.This article is protected by copyright. All rights reserved.