Selection of hole transport layers through lattice mismatching using SCAPS-1D

In this article, a lead-free structure FTO/TiO₂/NH₃(CH₂)₂NH₃MnCl₄/spiro-OMeTAD/Au is investigated using SCPAS-1D simulator. Initially, impact of absorber thickness on performance is thoroughly examined and found 900 nm thick absorber solar cell superiuses performer (open circuit voltage = 1.18 V, short circuit current density = 24.47 mA/cm², fill factor = 70.88%, power conversion efficiency = 19.70%). Further, numerous inorganic materials are investigated through lattice mismatching ratio as substitute of organic hole transport layer and CZTSe as the most adequate materials for enhancing both efficiency and stability owing to minimal lattice mismatching, easy synthesis, efficient charge transport characteristics and superior chemical stability. Serval metallic materials like Cu, Fe, C, W, Ni and Pd are used as back contacts, are also examined with an aim of replacing the expensive Au and it is found that the proposed structure offers highest efficiency with Pd i.e., 31.60% (V_oc = 1.13 V, J_sc = 32.94 mA/cm² and FF = 84.55%). Additionally, the effect of defects density of absorber and temperature on device performance are also analysed and observed both factors adversely affects device performance. So, their values kept minimum for achieving optimal efficiency. The simulated results also illustrated in J-V and quantum efficiency (QE) curves. These optimised results obtained in present study are also compared with previously reported results. The results extracted from this simulation may play a potent role in the development of eco-friendly and efficient solar technology.