Optimization of Hole Transport Layer Materials for a Lead‐Free Perovskite Solar Cell Based on Formamidinium Tin Iodide

Abstract

Recently, lead‐based perovskite solar cells have been mainly studied; however, these cells suffer from two main problems: the toxicity of lead and the instability of the devices, which limit their commercialization. Herein, a theoretical investigation of a lead‐free perovskite solar cell based on formamidinium tin iodide (HC(NH2)2SnI3) with the general architecture: glass/FTO/WS2/HC(NH2)2SnI3/HTL/Au is reported. All calculations are performed with the SCAPS‐1D solar cell simulator. Two inorganic (CuSCN and Cu2O) and two organic (P3HT and D‐PBTTT‐14) hole transport layer (HTL) materials are tested in this model. The effect of the external operating temperature and different metal work functions of the back contact of the cell on the overall performance of the devices is also studied. Simulations showed that, with the introduction of CuSCN, Cu2O, and P3HT as HTLs, the device can attain a remarkable efficiency of ≈21%. All the modeled devices showed remarkable performance of above 20% at higher temperatures of 380–420 K but degraded slightly when this range is exceeded. Relatively cheaper Pt, Ni, and Pd metals perform better, thus, can replace gold. These simulation results can provide avenues and directions for future advancement of the performance of lead‐free perovskite solar cells.

Insights into the photovoltaic properties of indium sulfide as an electron transport material in perovskite solar cells

“…An increase in temperature increases the recombination and reverse saturation currents, which further reduce the V OC and device performance. In addition, when the device is running at a higher temperature, the bandgap gets smaller, which may lead to more exciton recombination and less efficiency 58 . This observation may be extremely important when choosing OPSC in tropical areas.…”

Device Modeling of Efficient PBDB-T:PZT-Based All-Polymer Solar Cell: Role of Band Alignment

“…Inorganic HTMs like copper-based CuSCN, CuI, and nickel-based NiO show promising features in organic-based SCs, thanks to their good band alignments and high conductivities, along with other characteristics [ 49 , 50 ]. Further, organic P3HT, PTAA, and Sprio-OMeTAD are also potential candidates that are widely used in organic SCs [ 50 , 51 , 52 ]. Of the selected materials for the designed all-polymer cell, CuI and P3HT are the most suitable HTMs according to the predictions of the simulation carried out here, as they give a VBO of −0.1 eV with the absorber.…”

Unraveling the Potential Pathways for Improved Performance of EDA0.01(GA0.06(FA0.8Cs0.2)0.94)0.98SnI2Br‐Based Solar Cells

“…Additionally, in the literature, several PSCs have also been successfully modeled for a variety of applications. [41][42][43][44] In this article, our objective is to provide the fundamental physics of the selected structure, along with the pathways of the performance improvement. To achieve this, we have incorporated absorption and recombination models, as well as various electrical parameters, into our simulation tool.…”