Study of defect density of copper vacancies in chalcogenide CuSbS2, CuSbSe2, CuBiS2, and CuBiSe2 heterojunction thin-film solar cells.

In the past decade, a new family of ternary chalcogenide absorber (TCA) materials MIMIIX2 (where MI = Cu, Ag, Pb; MII = Sb, Bi, In; and X = S, Se, Te) have been studied. The copper family of ternary chalcogenide CuSbS2 CuSbSe2 CuBiS2, and CuBiSe2 is an amazing absorber material for thin-film solar cells because of their suitable band gap, high absorption coefficient and inexpensive, nontoxic, environment friendly and sustainable nature. In the presented work, first time simulated defect density of copper vacancies in CuSbS2 (CAS), CuSbSe2 (CASe), CuBiS2 (CBS) and CuBiSe2 (CBSe) has based heterojunction thin-film solar cells (HJTFSCs) with buffer CdS, intrinsic i-ZnO, window ZnO: Al and back contact Mo and set the cell scheming ZnO: Al/i-ZnO/n-CdS/p-TCA/Mo using SCAPS 1D. Major focus of this paper is on the influence of copper vacancies defect density that impact on the performance of ternary chalcogenide with various parameters of solar cells, i.e. short-circuit current density (Jsc), open-circuit voltage (Voc), form factor (FF) and efficiency (η). The cell parameter set at constant temperature 300 K, thickness 2.5 µm, carrier density 5 × 1016 cm-3, front internal transmission coefficient 1 and illumination intensity 100 mW/cm2 with AM1.5 sun light. This study clarifies the potential benefits to utilizing of ternary chalcogenide compounds as absorber material for solar cell fabrication.

Optimizing P3HT/PCBM-Based Organic Photodetector Performance: Insights from SCAPS 1D Simulation Studies.

Organic electronics have great potential due to their flexible structure, high performance, and their ability to build effective and low-cost photodetectors. We investigated the parameters of the P3HT and PCBM layers for device performance and optimization. SCAPS-1D simulations were employed to optimize the thicknesses of the P3HT and PCBM layers, investigate the effects of shallow doping in the P3HT layer, and assess the influence of the back contact electrode's work function on device performance. Furthermore, this study explored the impact of interface defect layer density on the characteristics of the device. Through systematic analyses, the optimal parameters for enhancing device responsivity were identified. The findings indicate that a P3HT layer thickness of 1200 nm, a PCBM layer thickness of 20 nm, and a back contact electrode with a work function of 4.9 eV achieve the highest responsivity. Notably, at a bias of -0.5 V, the responsivity exceeds 0.4 A/W within the wavelength range of 450 nm to 630 nm. These optimized parameters underscore the significant potential of the developed device as an organic photodetector, particularly for visible light detection.

Comprehensive investigation of material properties and operational parameters for enhancing performance and stability of FASnI3-based perovskite solar cells.

Recent advancements in the efficiency of lead-based halide perovskite solar cells (PSCs), exceeding 25%, have raised concerns about their toxicity and suitability for mass commercialization. As a result, tin-based PSCs have emerged as attractive alternatives. Among diverse types of tin-based PSCs, organic-inorganic metal halide materials, particularly FASnI3 stands out for high efficiency, remarkable stability, low-cost, and straightforward solution-based fabrication process. In this work, we modelled the performance of FASnI3 PSCs with four different hole transporting materials (Spiro-OMeTAD, Cu2O, CuI, and CuSCN) using SCAPS-1D program. Compared to the initial structure of Ag/Spiro-OMeTAD/FASnI3/TiO2/FTO, analysis on current-voltage and quantum efficiency characteristics identified Cu2O as an ideal hole transport material. Optimizing device output involved exploring the thickness of the FASnI3 layer, defect density states, light reflection/transmission at the back and front metal contacts, effects of metal work function, and operational temperature. Maximum performance and high stability have been achieved, where an open-circuit voltage of 1.16 V, and a high short-circuit current density of 31.70 mA/cm2 were obtained. Further study on charge carriers capture cross-section demonstrated a PCE of 32.47% and FF of 88.53% at a selected capture cross-section of electrons and holes of 1022 cm2. This work aims to guide researchers for building and manufacturing perovskite solar cells that are more stable with moderate thickness, more effective, and economically feasible.

Design and simulation of a high performance Ag3CuS2 jalpaite-based photodetector.

This work provides a comprehensive investigation by using simulations and performance analysis of a high performance and narrowband Ag3CuS2 photodetector (PD) that operates in the near-infrared (NIR) region and is built using WS2 and BaSi2 semiconductors. Across its operational wavelength range, a comprehensive assessment of the device's electrical and optical properties such as photocurrent, open-circuit voltage, quantum efficiency, responsivity and detectivity is methodically carried out. Furthermore, a thorough investigation has been conducted into the impact of many parameters, including width, carrier density and defects of various layers. Also, the intricate interactions between WS2/Ag3CuS2 and Ag3CuS2/BaSi2 interface properties of the photodetector are explored. The Ag3CuS2-based PD remarkably produces the best outcomes with an open-circuit voltage of 0.74 V, current of 43.79 mA/cm2, responsivity of 0.79 AW-1 and detectivity of 4.73 × 1014 Jones and over 90 % QE in the NIR range for the Ag3CuS2 PD. The results showcase this jalpaite material as a promising one in the field of PD.

Theoretical Study and Analysis of CsSnX3 (X = Cl, Br, I) All-Inorganic Perovskite Solar Cells with Different X-Site Elements.

In this research, SCAPS-1D simulation software (Version: 3.3.10) was employed to enhance the efficiency of CsSnX3 (X = Cl, Br, I) all-inorganic perovskite solar cells. By fine-tuning essential parameters like the work function of the conductive glass, the back contact point, defect density, and the thickness of the light absorption layer, we effectively simulated the optimal performance of CsSnX3 (X = Cl, Br, I) all-inorganic perovskite solar cells under identical conditions. The effects of different X-site elements on the overall performance of the device were also explored. The theoretical photoelectric conversion efficiency of the device gradually increases with the successive substitution of halogen elements (Cl, Br, I), reaching 6.09%, 17.02%, and 26.74%, respectively. This trend is primarily attributed to the increasing size of the halogen atoms, which leads to better light absorption and charge transport properties, with iodine (I) yielding the highest theoretical conversion efficiency. These findings suggest that optimizing the halogen element in CsSnX3 can significantly enhance device performance, providing valuable theoretical guidance for the development of high-efficiency all-inorganic perovskite solar cells.

Simulation and optimization of 30.17% high performance N-type TCO-free inverted perovskite solar cell using inorganic transport materials.

Perovskite solar cells (PSCs) have gained much attention in recent years because of their improved energy conversion efficiency, simple fabrication process, low processing temperature, flexibility, light weight, and low cost of constituent materials when compared with their counterpart silicon based solar cells. Besides, stability and toxicity of PSCs and low power conversion efficiency have been an obstacle towards commercialization of PSCs which has attracted intense research attention. In this research paper, a Glass/Cu2O/CH3NH3SnI3/ZnO/Al inverted device structure which is made of cheap inorganic materials, n-type transparent conducting oxide (TCO)-free, stable, photoexcited toxic-free perovskite have been carefully designed, simulated and optimized using a one-dimensional solar cell capacitance simulator (SCAPS-1D) software. The effects of layers' thickness, perovskite's doping concentration and back contact electrodes have been investigated, and the optimized structure produced an open circuit voltage (Voc) of 1.0867 V, short circuit current density (JSC) of 33.4942 mA/cm2, fill factor (FF) of 82.88% and power conversion efficiency (PCE) of 30.17%. This paper presents a model that is first of its kind where the highest PCE performance and eco-friendly n-type TCO-free inverted CH3NH3SnI3 based perovskite solar cell is achieved using all-inorganic transport materials.

The impact of CBz-PAI interlayer in various HTL-based flexible perovskite solar cells: A drift-diffusion numerical study.

In perovskite solar cells (PSCs), the charge carrier recombination obstacles mainly occur at the ETL/perovskite and HTL/perovskite interfaces, which play a decisive role in the solar cell performance. Therefore, this study aims to enhance the flexible PSC (FPSC) efficiency by adding the newly designed CBz-PAI-interlayer (simply CBz-PAI-IL) at the perovskite/HTL interface. In addition, substantial work has been carried out on five different HTLs (Se/Te-Cu2O, CuGaO2, V2O5, and CuSCN, including conventional Spiro-OMeTAD as a reference HTL with and without CBz-PAI-IL), using drift-diffusion simulation to find suitable FPSC design to attain the maximum PCE. Interestingly, PET/ITO/AZO/ZnO NWs/FACsPbBrI3/CBz-PAI/Se/Te-Cu2O/Au device architecture demonstrates the highest achievable power conversion efficiency (PCE) of 27.9 %. The findings of this study confirmed that the reference device (without IL) displays a large valence band edge (VBE)/highest occupied molecular orbital (HOMO) energy level misalignment compared to the modified interface device (with CBz-PAI-IL that reduces VBE/HOMO level mismatch) that eases the hole transport, simultaneously, it reduces the charge carrier recombinations at the interface, resulting in diminished Voc losses in the device. Furthermore, the influence of perovskite absorber thickness and defect density, parasitic resistances, and working temperature are systematically examined to govern the superior FPSC efficiency and concurrently understand the device physics.

Mixed cations tin-germanium perovskite: A promising approach for enhanced solar cell applications.

Significant progress has been made over the years to improve the stability and efficiency of rapidly evolving tin-based perovskite solar cells (PSCs). One powerful approach to enhance the performance of these PSCs is through compositional engineering techniques, specifically by incorporating a mixed cation system at the A-site and B-site structure of the tin perovskite. These approaches will pave the way for unlocking the full potential of tin-based PSCs. Therefore, in this study, a theoretical investigation of mixed A-cations (FA, MA, EA, Cs) with a tin-germanium-based PSC was presented. The crystal structure distortion and optoelectronic properties were estimated. SCAPS 1-D simulations were employed to predict the photovoltaic performance of the optimized tin-germanium material using different electron transport layers (ETLs), hole transport layers (HTLs), active layer thicknesses, and cell temperatures. Our findings reveal that EA0.5Cs0.5Sn0.5Ge0.5I3 has a nearly cubic structure (t = 0.99) and a theoretical bandgap within the maximum Shockley-Queisser limit (1.34 eV). The overall cell performance is also improved by optimizing the perovskite layer thickness to 1200 nm, and it exhibits remarkable stability as the temperature increases. The short-circuit current density (Jsc) remains consistent around 33.7 mA/cm2, and the open-circuit voltage (Voc) is well-maintained above 1 V by utilizing FTO as the conductive layer, ZnO as the ETL, Cu2O as the HTL, and Au as the metal back contact. This configuration also achieves a high fill factor ranging from 87 % to 88 %, with the highest power conversion efficiency (PCE) of 31.49 % at 293 K. This research contributes to the advancement of tin-germanium perovskite materials for a wide range of optoelectronic applications.

SCAPS-1D simulated organometallic halide perovskites: A comparison of performance under Sub-Saharan temperature condition.

Photovoltaic technology has been widely recognized as a means to advance green energy solutions in the sub-Saharan region. In the real-time operation of solar modules, temperature plays a crucial role, making it necessary to evaluate the thermal impact on the performance of the solar devices, especially in high-insolation environments. Hence, this paper investigates the effect of operating temperature on the performance of two types of organometallic halide perovskites (OHP) - formamidinium tin iodide (FASnI3) and methylammonium lead iodide (MAPbI3). The solar cells were evaluated under a typical Nigerian climate in two different cities before and after graphene passivation. Using a one-dimensional solar capacitance simulation software (SCAPS-1D) program, the simulation results show that graphene passivation improved the conversion efficiency of the solar cells by 0.51 % (FASnI3 device) and 3.11 % (MAPbI3 device). The presence of graphene played a vital role in resisting charge recombination and metal diffusion, which are responsible for the losses in OHP. Thermal analysis revealed that the MAPbI3 device exhibited an increased fill factor (FF) in the temperature range of 20-64 °C, increasing the power conversion efficiency (PCE). This ensured that the MAPbI3 solar cell performed better in the city and the season with harsher thermal conditions (Kaduna, dry season). Thus, MAPbI3 solar cells can thrive excellently in environments where the operating temperature is below 65 °C. Overall, this study shows that the application of OHP devices in sub-Saharan climatic conditions is empirically possible with the right material modification.

A numerical approach to optimize the performance of HTL-free carbon electrode-based perovskite solar cells using organic ETLs.

Carbon electrode-based perovskite solar cells (c-PSCs) without a hole transport layer (HTL) have obtained a significant interest owing to their cost-effective, stable, and simplified structure. However, their application is limited by low efficiency and the prevalence of high-temperature processed electron transport layer (ETL), e.g. TiO2, which also has poor optoelectronic properties, including low conductivity and mobility. In this study, a series of organic materials, namely PCBM ((Park et al., 2023; Park et al., 2023) [6,6]-phenyl-C61-butyric acid methyl ester, C72H14O2), Alq3 (Al(C9H6NO)3), BCP (2,9-Dimethyl-4,7-diphenyl-1,10-phenanthroline, C26H20N2), C60, ICBA (indene-C60 bisadduct, C78H16) and PEIE (poly (ethylenimine) ethoxylated, (C37H24O6N2)n) have been numerically analyzed in SCAPS-1D solar simulator to explore alternative potential ETL materials for HTL-free c-PSCs. The presented device has FTO/ETL/CH3NH3PbI3/carbon structure, and its performance is optimized based on significant design parameters. The highest achieved PCEs for PCBM, Alq3, BCP, C60, ICBA, and PEIE-based devices are 22.85%, 19.08%, 20.99%, 25.51%, 23.91%, and 22.53%, respectively. These PCEs are obtained for optimum absorber thickness for each case, with an acceptor concentration of 1.0 × 1017 cm-3 and defect density of 2.5 × 1013 cm-3. The C60-based cell has been found to outperform with device parameters as Voc of 1.29 V, Jsc of 23.76 mA/cm2, and FF of 82.67%. As the design lacks stability when only organic materials are employed, each of the presented devices have been analyzed by applying BiI3, LiF, and ZnO as protective layers with the performances not compromised. We believe that our obtained results will be of great interest in developing stable and efficient HTL-free c-PSCs.

Design and optimization of a high efficiency CdTe-FeSi2 based double-junction two-terminal tandem solar cell.

This article theoretically demonstrates an enormously efficient CdTe-FeSi2 based dual-junction tandem solar cell accompanied by slender semiconductor layers. The peak efficiency of the device has been ensured through the optimization of its various attributes of window, CdTe (bandgap 1.5 eV) top absorber, FeSi2 (bandgap 0.87 eV) bottom absorber and back surface layers. Additionally, the impacts of thickness, doping and the level of defects in different window, base and rear surface layers have been examined to observe how different layers affect the solar cell's performance. The optimized n-CdS/p-CdTe/p+-MoS2--n-CdS/p-FeSi2/p+-Cu2SnS3 dual-junction tandem solar device displays an efficiency of 43.9% with a voltage at no load, VOC of 1.928 V, current density under a closed circuit, JSC of 25.34 mA/cm2, and fill factor of 89.88%, respectively. These results disclose the high potential of the suggested solar cell based on CdTe and FeSi2 compounds.

Performance simulation of the perovskite solar cells with Ti3C2 MXene in the SnO2 electron transport layer.

MXenes, a class of two-dimensional (2D) transition metal carbides and nitrides, have a wide range of potential applications due to their unique electronic, optical, plasmonic, and other properties. SnO2-Ti3C2 MXene with different contents of Ti3C2 (0.5, 1.0, 2.0, 2.5 wt‰), experimentally, has been used as electron transport layers (ETLs) in Perovskite Solar Cells (PSCs). The SCAPS-1D simulation software could simulate a perovskite solar cell comprised of CH3NH3PbI3 absorber and SnO2 (or SnO2-Ti3C2) ETL. The simulation results like Power Conversion Efficiency (PCE), Open circuit voltage (VOC), Short circuit current density (JSC), Fill Factor (FF), and External Quantum Efficiency (EQE) have been compared within samples with different weight percentages of Ti3C2 MXene incorporated in ETL. Reportedly, the ETL of SnO2 with Ti3C2 (1.0 wt‰) effectively increases PCE from 17.32 to 18.32%. We simulate the role of MXene in changing the ideality factor (nid), photocurrent (JPh), built-in potential (Vbi), and recombination resistance (Rrec). The study of interface recombination currents and electric field shows that cells with 1.0 wt‰ of MXene in SnO2 ETL have higher values of ideality factor, built-in potential, and recombination resistance. The correlation between these values and cell performance allows one to conclude the best cell performance for the sample with 1.0 wt‰ of MXene in SnO2 ETL. With an optimization procedure for this cell, an efficiency of 27.81% is reachable.

Numerical study of copper antimony sulphide (CuSbS2) solar cell by SCAPS-1D.

Copper antimony sulphide thin films are promising, less toxic, and more absorbent material in the world, and they would be good to be applied in photovoltaic energy production. To better operations of copper antimony sulphide (CuSbS2) photovoltaic cells, this paper uses a solar cell capacitance simulator (SCAPS-1D) to simulate and analyze photovoltaic properties. This article examines different thicknesses of fluorine-doped tin oxide (FTO), cadmium sulphide (CdS), carbon (C), and CuSbS2, as well as the defect and dopant concentration in the CuSbS2 photoactive layer of the photovoltaic cell structure glass/FTO/n-CdS/p-CuSbS2/C/Au. Optimum thicknesses of CuSbS2 is 300 nm, carbon hole transport layer (HTL) is 50 nm, and for n-CdS electron transport layer (ETL) is 100 nm, giving open circuit Voltage (Voc) of 0.9389 V, short circuit current density (Jsc) of 28.32 mA/cm2, fill factor (FF) of 60.8% and solar cell efficiency of 16.17%. The increase in defects causes a decrease of carrier lifetime resulting in to decrease in diffusion length and the optimum absorber layer doping concentration was found to be 1018 cm-3.

Numerical simulation based performance enhancement approach for an inorganic BaZrS3/CuO heterojunction solar cell.

One of the main components of the worldwide transition to sustainable energy is solar cells, usually referred to as photovoltaics. By converting sunlight into power, they lessen their reliance on fossil fuels and the release of greenhouse gases. Because solar cells are decentralized, distributed energy systems may be developed, which increases the efficiency of the cells. Chalcogenide perovskites have drawn interest due to their potential in solar energy conversion since they provide distinctive optoelectronic characteristics and stability. But high temperatures and lengthy reaction periods make it difficult to synthesise and process them. Therefore, we present the inaugural numerical simulation using SCAPS-1D for emerging inorganic BaZrS3/CuO heterojunction solar cells. This study delves into the behaviour of diverse parameters in photovoltaic devices, encompassing efficiency (η) values, short-circuit current density (Jsc), fill factor (FF), and open-circuit voltage (Voc). Additionally, we thoroughly examine the impact of window and absorber layer thickness, carrier concentration, and bandgap on the fundamental characteristics of solar cells. Our findings showcase the attainment of the highest efficiency (η) values, reaching 27.3% for our modelled devices, accompanied by Jsc values of 40.5 mA/cm2, Voc value of 0.79 V, and FF value of 85.2. The efficiency (η) values are chiefly influenced by the combined effects of Voc, Jsc, and FF values. This optimal efficiency was achieved with CuO thickness, band gap, and carrier concentration set at 5 µm, 1.05 eV, and above 1019 cm-3, respectively. In comparison, the optimal parameters for BaZrS3 include a thickness of 1 µm, a carrier concentration below 1020 cm-3, and a band gap less than 1.6 eV. Therefore, in the near future, the present simulation will simultaneously provide up an entirely novel field for the less defective perovskite solar cell.

Using Cu2O/ZnO as Two-Dimensional Hole/Electron Transport Nanolayers in Unleaded FASnI3 Perovskite Solar Cells.

A Pb-free FASnI3 perovskite solar cell improved by using Cu2O/ZnO as two-dimensional-based hole/electron transport nanolayers has been proposed and studied by using a SCAPS-1D solar simulator. To calibrate our study, at first, an FTO/ZnO/MAPbI3/Cu2O/Au multilayer device was simulated, and the numerical results (including a conversion efficiency of 6.06%, an open circuit potential of 0.76 V, a fill factor parameter of 64.91%, and a short circuit electric current density of 12.26 mA/cm2) were compared with the experimental results in the literature. Then, the conversion efficiency of the proposed FASnI3-based solar cell was found to improve to 7.83%. The depth profile energy levels, charge carrier concentrations, recombination rate of electron/hole pair, and the FASnI3 thickness-dependent solar cell efficiency were studied and compared with the results obtained for the MAPbI3-containing device (as a benchmark). Interestingly, the FASnI3 material required to obtain an optimized solar cell is one-half of the material required for an optimized MAPbI3-based device, with a thickness of 200 nm. These results indicate that developing more environmentally friendly perovskite solar cells is possible if suitable electron/hole transport layers are selected along with the upcoming Pb-free perovskite absorber layers.

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.

Numerical simulation study of high-efficiency silicon-based cell destined for photoelectrochemical wastewater treatment.

Photoelectrochemical setups based on semiconductor photoelectrodes are known for their effectiveness in wastewater treatment, powered by solar energy, which is a renewable and sustainable source. These systems require semiconductor photocatalysts with excellent light-absorbing properties and high stability in aqueous environments. In this regard, silicon is highly investigated in solar cells thanks to its narrow bandgap, making it a potential solar harvester. Metal oxides stand as promising semiconductors, which are non-toxic and thermodynamically stable. In this work, two high-efficiency silicon-based cells have been investigated via Solar Cell Capacitance Simulator (SCAPS-1D) software. Thickness and doping concentration, of each layer, have been scrutinized for multiple buffer propositions to investigate the physical feasibility and optimal values allowing maximal light harvesting. It was found that the overall cell performance is influenced by extremely high doping concentrations for some layers. The effect of temperature was investigated as well at temperatures ranging from 300 to 350 K; it was discovered that the cell demonstrates great performance at the ambient temperature. A maximum solar efficiency of about 25.44% was calculated. Our findings build the path towards fabricating highly efficient Si-based solar cells for photoelectrochemical wastewater treatment.

Enhancement of efficiency in CsSnI3 based perovskite solar cell by numerical modeling of graphene oxide as HTL and ZnMgO as ETL.

Perovskite photovoltaics have an immense contribution toward the all-round development of the solar cell. Apart from the flexibility, stability, and high efficiency, more stress has been given to using lead-free as well as eco-friendly, inexpensive materials in the fabrication of PSC devices. The utilization of non-volatile material, such as cesium tin iodide (CsSnI3), can be proposed for designing the PSC device, which not only makes it eco-friendly but also offers better optoelectronic characteristics due to its smaller bandgap of 1.27 eV. The inclusion of Sn in the perovskite material also functions as an increment in the stability of the perovskite. In the present simulation, CsSnI3 is used as an active absorber layer while the ZnMgO is used as an ETL for a cost-effective nature. Similarly, graphene oxide (GO) is used as HTL for a superior collection of holes. The comprehensive numerical modeling of the ZnMgO can be utilized in solar cell designing with appropriate CsSnI3 thickness, working temperature, total defectivity, and resistance impact, respectively. The presently simulated device offers an excellent efficiency of 17.37 % with CsSnI3-based PSC. These results of the study also show an effective route to develop highly efficient lead-free PSC devices.

Experimental and Theoretical Investigations of MAPbX3 -Based Perovskites (X=Cl, Br, I) for Photovoltaic Applications.

This work mainly focuses on synthesizing and evaluating the efficiency of methylammonium lead halide-based perovskite (MAPbX3 ; X=Cl, Br, I) solar cells. We used the colloidal Hot-injection method (HIM) to synthesize MAPbX3 (X=Cl, Br, I) perovskites using the specific precursors and organic solvents under ambient conditions. We studied the structural, morphological and optical properties of MAPbX3 perovskites using XRD, FESEM, TEM, UV-Vis, PL and TRPL (time-resolved photoluminescence) characterization techniques. The particle size and morphology of these perovskites vary with respect to the halide variation. The MAPbI3 perovskite possesses a low band gap and low carrier lifetime but delivers the highest PCE among other halide perovskite samples, making it a promising candidate for solar cell technology. To further enrich the investigations, the conversion efficiency of the MAPbX3 perovskites has been evaluated through extensive device simulations. Here, the optical constants, band gap energy and carrier lifetime of MAPbX3 were used for simulating three different perovskite solar cells, namely I, Cl or Br halide-based perovskite solar cells. MAPbI3 , MAPbBr3 and MAPbCl3 absorber layer-based devices showed ~13.7 %, 6.9 % and 5.0 % conversion efficiency. The correlation between the experimental and SCAPS simulation data for HIM-synthesized MAPBX3 -based perovskites has been reported for the first time.

Design and simulation of nitrogenated holey graphene (C2N) based heterostructure solar cell by SCAPS-1D.

The nitrogenated holey Graphene (C2N) based solar cell has been modeled and analyzed by using SCAPS-1D. Initially, a reported structure (TCO/IGZO/C2N) has been considered and improved by incorporating Al and Pt as front and back contact, respectively. Then, a novel device structure (Al/TCO/IGZO/C2N/CZT/Pt) has been proposed by inserting a BSF layer with heavily doped p-CZT material. The outcomes of the suggested cell structure have been analyzed numerically by changing different physical parameters. The absorber and BSF layer's thickness has been optimized as 0.6 µm and 0.4 µm, respectively. The cell performance is significantly declined when the bulk defect density in C2N exceeds the value of 1015 cm-3. The rising of device operating temperature shows a negative effect on performance. From this analysis, the structure has been optimized according to device performance. The optimized results have been achieved with the VOC, JSC, FF and efficiency (eta) of 1.40 V, 22.59 mA/cm2, 89.02%, and 28.16%, respectively. This research contributes to enriching the knowledge on the field of C2N materials and its use in optoelectronic applications.