| Abstract: | A depth behavioral understanding for each layer in perovskite solar cells(PSCs)and their interfacial interactions as a whole has been emerged for further enhancement in power conversion efficiency(PCE).Herein,NiO@Carbon was not only simulated as a hole transport layer but also as a counter electrode at the same time in the planar heterojunction based PSCs with the program wx AMPS(analysis of microelectronic and photonic structures)-1D.Simulation results revealed a high dependence of PCE on the effect of band offset between hole transport material(HTM)and perovskite layers.Meanwhile,the valence band offset(?E_v)of NiO-HTM was optimized to be -0.1 to -0.3 eV lower than that of the perovskite layer.Additionally,a barrier cliff was identified to significantly influence the hole extraction at the HTM/absorber interface.Conversely,the ?E_v between the active material and NiO@Carbon-HTM was derived to be -0.15 to 0.15 eV with an enhanced efficiency from 15% to 16%. |
