Effect of various electron and hole transport layers on the performance of CsPbI3-based perovskite solar cells: A numerical investigation in DFT, SCAPS-1D, and wxAMPS frameworks

CsPbI3 has recently received tremendous attention as a possible absorber of perovskite solar cells (PSCs). However, CsPbI3-based PSCs have yet to achieve the high performance of the hybrid PSCs. In this work, we performed a density functional theory (DFT) study using the Cambridge Serial Total Energy Package (CASTEP) code for the cubic CsPbI3 absorber to compare and evaluate its structural, electronic, and optical properties. The calculated electronic band gap (Eg) using the GGA-PBE approach of CASTEP was 1.483 eV for this CsPbI3 absorber. Moreover, the computed density of states (DOS) exhibited the dominant contribution from the Pb-5d orbital, and most charge also accumulated for the Pb atom as seen from the electronic charge density map. Fermi surface calculation showed multiband character, and optical properties were computed to investigate the optical response of CsPbI3. Furthermore, we used IGZO, SnO2, WS2, CeO2, PCBM, TiO2, ZnO, and C60 as the electron transport layers (ETLs), and Cu2O, CuSCN, CuSbS2, Spiro-MeOTAD, V2O5, CBTS, CFTS, P3HT, PEDOT: PSS, NiO, CuO, and CuI as the hole transport layers (HTLs) to identify the best HTL/CsPbI3/ETL combinations using the SCAPS-1D solar cell simulation software. Among 96 device structures, the best-optimized device structure, ITO/TiO2/CsPbI3/CBTS/Au was identified, which exhibited an efficiency of 17.9%. The effect of absorber and ETL thickness, series resistance, shunt resistance, and operating temperature was also evaluated for the six best devices along with their corresponding generation rate, recombination rate, capacitance-voltage, current density-voltage, and quantum efficiency characteristics. The obtained results from SCAPS-1D were also compared with wxAMPS simulation software.Comment: 34 pages, 12 figures, Supporting Information (3 figures

Design and numerical analysis of CIGS-based solar cell with V2O5 as the BSF layer to enhance photovoltaic performance

Copper indium gallium selenide (CIGS)-based solar cells have exhibited greater performance than the ones utilizing cadmium telluride (CdTe) or hydrogenated amorphous silicon (a-Si: H) as the absorber. CIGS-based devices are more efficient, considering their device performance, environmentally benign nature, and reduced cost. In this article, we proposed a potential CIGS-absorber-based solar cell with an FTO/ZnSe/CIGS/V2O5/Cu heterostructure, with a V2O5 back-surface field (BSF) layer, SnO2:F (FTO) window layer, and ZnSe buffer layer. Using the solar cell capacitance simulator one-dimensional simulation software, the effects of the presence of the BSF layer, the thickness, bulk defect density, and acceptor density of the absorber layer, buffer layer thickness, interfacial defect density, device resistance, and operating temperature on the open-circuit voltage, short-circuit current, fill factor, and efficiency, as well as on the quantum efficiency and recombination and generation rate, of the device have been explored in detail. The simulation results revealed that only a 1 μm-thick-CIGS absorber layer with V2O5 BSF and ZnSe buffer layers in this structure offers an outstanding efficiency of 31.86% with a VOC of ∼0.9 V. Thus, these outcomes of the CIGS-based proposed heterostructure provide an insightful pathway for fabricating high-efficiency solar cells with performance more promising than the previously reported conventional designs

Feasibility and Techno-Economic Evaluation of Hybrid Photovoltaic System: A Rural Healthcare Center in Bangladesh

This study aimed to investigate a techno-economic evaluation of the photovoltaic system, along with a diesel generator as a backup supply, to ensure a continuous twenty-four hours power supply per day, no matter the status of the weather. Healthcare centers in Bangladesh play a vital role in the health issues of the residents of rural areas. In this regard, a healthcare center in Baliadangi—Lahiri Hat Rd, Baliadangi, Thakurgaon, Bangladesh, was selected to be electrically empowered. The simulation software Hybrid Optimisation Model for Electric Renewables (HOMER) and the HOMER Powering Health tool were used to analyze and optimize the renewable energy required by the healthcare center. It was found that the healthcare center required a 24.3 kW solar PV system with a net current cost of $28,705.2; the levelized cost of electricity (LCOE) was$0.02728 per kW-hours, where renewable energy would provide 98% of the system’s total power requirements. The generator would provide 1% and the grid would supply the remaining 1%. The load analysis revealed that the hybrid PV system might be superior to other power sources for providing electricity for both the normal function and the emergencies that arise in healthcare’s day-to-day life. The outcome of the study is expected to be beneficial for both government and other stakeholders in decision-making