Device modelling and performance enhancement of FASnI3-based perovskite solar cell with diverse, compatible charge transport layers

Formamidinium Tin Iodide HC(NH 2 ) 2 SnI 3 is a promising toxic-free candidate as an absorber layer in perovskite solar cells. In this work, the device structure, glass substrate /FTO/TiO 2 /FASnI 3 /Spiro-OMeTAD/Au is simulated using SCAPS 1D software, and the obtained results are compared with experimental values, for calibrating the software. The simulations are repeated with 11 different Electron Transport Layers (ETLs) − TiO 2 , SnO 2 , CdS, ZnSe, WS 2, CeOx, C 60 , Cd 0.5 Zn 0.5 S, IGZO, Zn(O 0.3 S 0.7 ), PCBM and 2 Hole Transport Layers (HTLs) −Spiro-OMeTAD, MEH-PPV, that provide compatible band offsets at the interface. Out of all the various combinations of HTL and ETL that were simulated, the combination of MEH-PPV and Cd 0.5 Zn 0.5 S possessed the highest power conversion efficiency of 2.55 %. So the structure, glass substrate/FTO/Cd 0.5 Zn 0.5 S/FASnI 3 /MEH-PPV/Au is chosen for further optimization, and some of the cell parameters are varied, such as absorber doping density, absorber defect density and thickness, ETL thickness, ETL doping density, ETL electron affinity, HTL thickness, HTL doping density, HTL electron affinity, temperature and material work function, to study their impact on cell performance parameters. The final simulation with the modified parameters produced an enhanced performance with an open circuit voltage (V oc ) of 0.9450 V, Short circuit current density (J sc ) of 31.74mAcm −2 , fill factor (FF) of 81.13 %, and power conversion efficiency(ƞ) of 24.33 %. The simulation is performed again, with the optimized parameters for the inverted structure, which showed an improvement in the performance parameters except for the short circuit current density. For the inverted structure, the performance parameters are obtained as follows: open circuit voltage (V oc ) = 1.0496 V, short circuit current density (J sc ) = 29.91 mA/cm 2 , fill factor (FF) = 84.84 %, and power conversion efficiency(ƞ) = 26.64 %. The study examines the performance of FASnI 3 and provides significant knowledge of the choices of ETL and HTL, that benefit the photovoltaic community.