Investigation of photovoltaic performance of lead-free CsSnI3-based perovskite solar cell with different hole transport layers: First Principle Calculations and SCAPS-1D Analysis

Device Simulation of a Thin-Layer CsSnI3-Based Solar Cell with Enhanced 31.09% Efficiency

“…With optimum thicknesses of each layer, the detailed energy band alignment is performed to elucidate the critical role of the conduction band offset (CBO) and valence band offset (VBO) at the ETL/ Table 1. Bulk Optimization Input Parameters for the FTO, 46 ETLs, 20,47,48 Absorber Layer CsSnI 3 , 20 and HTL 49−51 Here, CBO and VBO are estimated from the difference between E C and E V of the absorber layer and ETL and HTL, respectively. To maintain the thermal equilibrium, the Fermi level (E F ) within the band gap (E g ) regulates itself, giving a positive or negative CBO and VBO.…”

“…Several authors have studied the optoelectronic properties of CsSnI 3 ; 18 however, the solar cell studies of this material have rarely been reported, both experimentally and theoretically. 19,20 In the present work, we studied the effect of metal oxide (MOX)-based various ETLs (TiO 2 , ZnO, and SnO 2 ) and HTLs (CuO, Cu 2 O, and NiO) on the PV performance of the CsSnI 3 -based perovskite solar cell by using SCAPS-1D device simulation software. Figure 2a indicates the energy band diagram of the fluorine-doped tin oxide glass (FTO) and various ETLs, HTLs, and perovskite CsSnI 3 materials, and Figure 2b shows the detailed energy band diagram of our bestdesigned PSC.…”

“…In the past five years, the PV device simulation software programs, such as the one-dimensional solar cell capacitance program (SCAPS-1D), have been intensively applied to elucidate the device performance of various PV devices. Several authors have studied the optoelectronic properties of CsSnI 3 ; however, the solar cell studies of this material have rarely been reported, both experimentally and theoretically. , …”

“…From DFT calculations, they found that the band gap of CsSnI 3 is 1.3 eV and the absorption coefficient is 10 5 cm –1 . Further, the authors designed a CsSnI 3 -based perovskite device with three different hole transport layers (P3HT, PEDOT: PSS, and Spiro-OMeTAD) and found that P3HT as an HTL can significantly enhance the power conversion efficiency (PCE ∼ 26.40%) with a quantum efficiency (QE) of ∼100% and a fill factor (FF) of ∼78.21% . However, the analytical study is less comprehensive and lacks several factors, such as the usage of oxide-based ETLs and HTLs.…”

Twenty-Two Percent Efficient Pb-Free All-Perovskite Tandem Solar Cells Using SCAPS-1D

“…Recently, numerical simulations of single-junction PSCs and tandem solar cells using SCAPS-1D have received enormous attention, and a large number of publications have been reported [ 31 , 32 , 33 , 34 , 35 , 36 , 37 , 38 ]. In this connection, Pandey et al [ 37 ] simulated tandem solar cells by exploring CH 3 NH 3 Pb 0.5 Sn 0.5 I 3 and Cs 2 AgBi 0.75 Sb 0.25 Br 6 as the bottom cell and top cell, respectively.…”