Thin-film carbon nitride (C2N)-based solar cell optimization considering Zn1−xMgxO as a buffer layer

Carbon nitride (C2N), a two-dimensional material, is rapidly gaining popularity in the photovoltaic (PV) research community owing to its excellent properties, such as high thermal and chemical stability, non-toxic composition, and low fabrication cost over other thin-film solar cells. This study uses a detailed numerical investigation to explore the influence of C2N-based solar cells with zinc magnesium oxide (Zn1−xMgxO) as a buffer layer. The SCAPS-1D simulator is utilized to examine the performance of four Mg-doped buffer layers (x = 0.0625, 0.125, 0.1875, and 0.25) coupled with the C2N-based absorber layer. The influence of the absorber and buffer layers’ band alignment, quantum efficiency, thickness, doping density, defect density, and operating temperature are analyzed to improve the cell performance. Based on the simulations, increasing the buffer layer Mg concentration above x = 0.1875 reduces the device performance. Furthermore, it is found that increasing the absorber layer thickness is desirable for good device efficiency, whereas a doping density above 1015 cm−3 can degrade the cell performance. After optimization of the buffer layer thickness and doping density at 40 nm and 1018 cm−3 , the cell displayed its maximum performance. Among the four structures, C2N/Zn0.8125Mg0.1875O demonstrated the highest PCE of 19.01% with a significant improvement in open circuit voltage (Voc), short circuit density (Jsc), and fill factor (FF). The recorded results are in good agreement with the standard theoretical studies.Web of Science111art. no. 9

Comprehensive analysis of heterojunction compatibility of various perovskite solar cells with promising charge transport materials

Abstract The allure of perovskite solar cells (PSCs), which has captivated the interest of researchers, lies in their versatility to incorporate a wide range of materials within the cell’s structure. The compatibility of these materials plays a vital role in the performance enhancement of the PSC. In this study, multiple perovskite materials including FAPbI3, MAGeI3 and MASnI3 are numerically modelled along with the recently emerged kesterite (CBTS, CMTS, and CZTS) and zinc-based (ZnO and CdZnS) charge transport materials. To fully explore the potential of PSCs and comprehend the interplay among these materials, a total of 18 PSC structures are modeled from different material combinations. The impact of band gap, electron affinity, absorption, band alignment, band offset, electric field, recombination rate, thickness, defects, and work function were analyzed in detail through a systematic approach. The reasons for varying performance of different PSCs are also identified. Based on the simulated results, the most suitable charge transport materials are CdZnS/CMTS for FAPbI3 producing a power conversion efficiency (PCE) of 22.05%, ZnO/CZTS for MAGeI3 with PCE of 17.28% and ZnO/CBTS for MASnI3 with a PCE of 24.17%

Evaluating the influence of novel charge transport materials on the photovoltaic properties of MASnI3 solar cells through SCAPS-1D modelling

In recent decades, substantial advancements have been made in photovoltaic technologies, leading to impressive power conversion efficiencies (PCE) exceeding 25% in perovskite solar cells (PSCs). Tin-based perovskite materials, characterized by their low band gap (1.3 eV), exceptional optical absorption and high carrier mobility, have emerged as promising absorber layers in PSCs. Achieving high performance and stability in PSCs critically depends on the careful selection of suitable charge transport layers (CTLs). This research investigates the effects of five copper-based hole transport materials and two carbon-based electron transport materials in combination with methyl ammonium tin iodide (MASnI3) through numerical modelling in SCAPS-1D. The carbon-based CTLs exhibit excellent thermal conductivity and mechanical strength, while the copper-based CTLs demonstrate high electrical conductivity. The study comprehensively analyses the influence of these CTLs on PSC performance, including band alignment, quantum efficiency, thickness, doping concentration, defects and thermal stability. Furthermore, a comparative analysis is conducted on PSC structures employing both p-i-n and n-i-p configurations. The highest-performing PSCs are observed in the inverted structures of CuSCN/MASnI3/C60 and CuAlO2/MASnI3/C60, achieving PCE of 23.48% and 25.18%, respectively. Notably, the planar structures of Cu2O/MASnI3/C60 and CuSbS2/MASnI3/C60 also exhibit substantial PCE, reaching 20.67% and 20.70%, respectively

Performance analysis and optimization of inverted inorganic CsGeI3 perovskite cells with carbon/copper charge transport materials using SCAPS-1D

Organic–inorganic perovskite solar cells (PSCs) have achieved the power conversion efficiencies (PCEs) of more than 25%. However, the organic compound in the material is causing structural degradation of the PSC owing to heat (thermal instability), humidity and moisture. This has led to the exploration of only inorganic perovskite materials. Inorganic PSCs such as caesium have seen a breakthrough by achieving highly stable PSC with PCE exceeding 15%. In this work, the inorganic non-toxic PSC of caesium germanium tri-iodide (CsGeI3) is numerically modelled in SCAPS-1D with two carbon-based electron transport layers (ETLs) and two copper-based hole transport layers (HTLs). This study introduces in-depth numerical modelling and analysis of CsGeI3 through continuity and Poisson equations. Cu HTLs are selected to increase the electric conductivity of the cell, while carbon-based ETL is used to increase the thermal conductivity of the PSC. A total of four unique PSC structures are designed and presented. A systematic approach is adopted to obtain the optimized PSC design parameters for maximum performance. From the optimized results, it is observed that the C60/CsGeI3/CuSCN structure is the highest performance PSC, with open-circuit voltage (Voc) of 1.0169 V, short-circuit current density (Jsc) of 19.653 mA cm−2, fill factor of 88.13% and the PCE of 17.61%. Moreover, the effect of quantum efficiency, electric field, interface recombination, interface defects, layer thickness, defect density, doping concentration, working temperature and reflection coating on the cell performance are studied in detail

Supplementary Data from Evaluating the influence of novel charge transport materials on the photovoltaic properties of MASnI₃ solar cells through SCAPS-1D modelling

Contain the design parameters of the different layers used for modelling the perovskite solar cell in SCAPS-1

Thin-Film Carbon Nitride (C₂N)-Based Solar Cell Optimization Considering Zn_1−xMg_xO as a Buffer Layer

Carbon nitride (C2N), a two-dimensional material, is rapidly gaining popularity in the photovoltaic (PV) research community owing to its excellent properties, such as high thermal and chemical stability, non-toxic composition, and low fabrication cost over other thin-film solar cells. This study uses a detailed numerical investigation to explore the influence of C2N-based solar cells with zinc magnesium oxide (Zn1−xMgxO) as a buffer layer. The SCAPS-1D simulator is utilized to examine the performance of four Mg-doped buffer layers (x = 0.0625, 0.125, 0.1875, and 0.25) coupled with the C2N-based absorber layer. The influence of the absorber and buffer layers’ band alignment, quantum efficiency, thickness, doping density, defect density, and operating temperature are analyzed to improve the cell performance. Based on the simulations, increasing the buffer layer Mg concentration above x = 0.1875 reduces the device performance. Furthermore, it is found that increasing the absorber layer thickness is desirable for good device efficiency, whereas a doping density above 1015 cm−3 can degrade the cell performance. After optimization of the buffer layer thickness and doping density at 40 nm and 1018 cm−3, the cell displayed its maximum performance. Among the four structures, C2N/Zn0.8125Mg0.1875O demonstrated the highest PCE of 19.01% with a significant improvement in open circuit voltage (Voc), short circuit density (Jsc), and fill factor (FF). The recorded results are in good agreement with the standard theoretical studies