Optimization of Organic Photodetectors Using SCAPS-1D Simulation: Enhancing Performance of PBDB-T-2F Based Devices Through Layer Configuration and Doping Adjustments

Recent progress in lead (Pb) halide perovskites has inspired much research into economical solar cells, focusing on critical issues of stability and toxicity. This study investigates the performance of perovskite solar cells (PSCs) by simulating the impact of a methylammonium lead chloride (CH3NH3PbCl3) layer as the absorber material using the SCAPS-1D simulator. The first comprehensive study of this material examines the role and configuration of the Electron Transport Layer (ETL) and Hole Transport Layer (HTL), as well as the absorber layer, on solar cell performance. The ETLs used in the device optimization are ZnO, SnO2, IGZO, and CdS; the HTL is CuO; and the front and back contacts are Au and Ni, respectively. The study highlights CuO as the optimal HTL for CH3NH3PbCl3, delivering power conversion efficiencies (PCEs) of 16.10%, 16.06%, 16.05%, and 14.41% with ZnO, SnO2, IGZO, and CdS as ETLs, respectively. The performance of these device architectures is significantly influenced by factors such as defect density, absorber layer thickness, ETL thickness, and the combination of different ETLs and CuO HTLs. Furthermore, this study elucidates the impact of absorber and HTL thickness on key photovoltaic parameters, such as VOC, JSC, FF, and PCE. Also, we have discussed the VBO, and CBO for different ETLs. Additionally, we examine the effects of series and shunt resistance, operating temperature, quantum efficiency (QE), capacitance–voltage characteristics, generation and recombination rates, and current density–voltage (J-V), analysis of absorption data, and impedance analysis behavior on achieving the highest efficiency of the device. This comprehensive study provides critical insights into designing cost-effective, high-performance PSCs, and advancing the development of next-generation photovoltaic technologies.

Optimizing the performance of Cs2AgBiBr6 based solar cell through modification of electron and hole transport layers

Due to the optical properties of the electron transport layer (ETL) and hole transport layer (HTL), inverted perovskite solar cells can perform better than traditional perovskite solar cells. It is essential to compare both types to understand their efficiencies. In this article, we studied inverted perovskite solar cells with NiOx/CH3NH3Pb3/ETL (ETL = MoO3, TiO2, ZnO) structures. Our results showed that the optimal thickness of NiOx is 80 nm for all structures. The optimal perovskite thickness is 600 nm for solar cells with ZnO and MoO3, and 800 nm for those with TiO2. For the ETLs, the best thicknesses are 100 nm for ZnO, 80 nm for MoO3, and 60 nm for TiO2. We found that the efficiencies of inverted perovskite solar cells with ZnO, MoO3, and TiO2 as ETLs, and with optimal layer thicknesses, are 30.16%, 18.69%, and 35.21%, respectively. These efficiencies are 1.5%, 5.7%, and 1.5% higher than those of traditional perovskite solar cells. Our study highlights the potential of optimizing layer thicknesses in inverted perovskite solar cells to achieve higher efficiencies than traditional structures.

To achieve fabrication and cost competitiveness in organic optoelectronic devices that include organic solar cells (OSCs) and organic light-emitting diodes (OLEDs), it is desirable to have one type of material that can simultaneously function as both the electron and hole transport layers (ETLs and HTLs) of the organic devices in all device architectures (i.e., normal and inverted architectures). We address this issue by proposing and demonstrating Cs-intercalated metal oxides (with various Cs mole ratios) as both the ETL and HTL of an organic optoelectronic device with normal and inverted device architectures. Our results demonstrate that the new approach works well for widely used transition metal oxides of molybdenum oxide (MoOx) and vanadium oxide (V2Ox). Moreover, the Cs-intercalated metal-oxide-based ETL and HTL can be easily formed under the conditions of a room temperature, water-free and solution-based process. These conditions favor practical applications of OSCs and OLEDs. Notably, with the analyses of the Kelvin Probe System, our approach of Cs-intercalated metal oxides with a wide mole ratio range of transition metals (Mo or V)/Cs from 1∶0 to 1∶0.75 can offer significant and continuous work function tuning as large as 1.31 eV for functioning as both an ETL and HTL. Consequently, our method of intercalated metal oxides can contribute to the emerging large-scale and low-cost organic optoelectronic devices. Caesium-intercalated metal oxides can act as both hole and electron transport layers in organic optoelectronic devices, shown by a team in China. The use of a single material for both layers will reduce the cost of fabricating organic solar cells (OSCs) and organic light-emitting diodes (OLEDs). The researchers, who are from the University of Hong Kong and the Chinese Academy of Sciences, use molybdenum and vanadium oxides intercalated with different caesium mole ratios for both hole and electron transport layers; previously, these metal oxides have generally been used for the hole transport layer only. The results reveal that these caesium-intercalated metal oxides provide efficient performance and good adaptability for OSCs and OLEDs with both conventional and inverted device architectures. This approach can simplify the fabrication of OSCs and OLEDs and has great potential for organic optoelectronic devices.

Lead-containing halide perovskites show promise for solar energy but pose ecological and health risks. To address these, researchers are exploring inorganic binary metal perovskites. This study proposes an eco-friendly, durable hole transport layer (HTL)-free design of CsSn0.5Ge0.5I3 with high power conversion efficiency (PCE). Using the SCAPS-1D simulator, we assessed the efficiency of an HTL-free planar heterojunction, while the Density Functional Theory (DFT)-based CASTEP simulator evaluated the optical properties of CsSn0.5Ge0.5I3 in an orthorhombic structure. Key findings highlight enhanced performance under 100 Wm-2 AM 1.5G illumination by optimizing absorber layer thickness to 800 nm and reducing defect densities in both the perovskite absorber layer and interfaces to 1 × 1014 cm-3.Additonally, the effects of different electron transport materials (ETMs), optimization of electron transport layer (ETL) thickness (30-50 nm), and back contact design improvements were examined. The simulation's results included an increase over the highest values reported in the literature: an open circuit voltage (Voc) of 1.06 V, a short circuit current density (Jsc) of 28.52 mA/cm2, a fill factor (FF) of 86.57%, and a PCE of 26.18% for the FTO/Zn0.875Mg0.125O/CsSn0.5Ge0.5I3/Se perovskite solar cell (PSC). This research provides theoretical insights for developing high-efficiency power modules without HTLs with significant industrial and research potential.

Perovskite solar cells (PSCs) have gained significant attention due to their high‐power conversion efficiencies (PCE) and versatile material properties. This study uses advanced simulations with OghmaNano to explore the influence of electron transport layers (ETLs) and hole transport layers (HTLs) in cesium‐based PSCs, specifically with Cs2AgBiBr6 as the absorber material. By analyzing ZnO, SnO2, and TiO2 as ETLs and NiOx and Cu2O as HTLs, this study determines the impact of layer properties and thickness on critical performance metrics, including PCE, Voc, and Jsc. The study's simulations reveal that optimal absorber layer thicknesses are 100 nm for ZnO and SnO2 and 400 nm for TiO2, achieving a peak PCE of 17.11% in the TiO2/Cu2O configuration. This study also observes that SnO2‐based devices exhibit superior charge extraction capabilities due to reduced trap states, leading to a more stable voltage output. Additionally, photon recycling effects in Cs2AgBiBr6 increase Jsc by up to 5%, a novel finding for cesium‐based PSCs. Energy‐level alignment analysis shows that TiO2/Cu2O minimizes recombination, enhancing fill factor and efficiency. Photon density distribution and energy‐level spectra reveal the interplay between optical absorption, charge dynamics, and interface energetics, guiding device architecture optimization. These findings offer key insights for improving lead‐free perovskite photovoltaics, enhancing efficiency and stability in future applications.

Perovskite solar cells (PSCs) are promising candidates to address today’s energy crisis. The most challenging obstacles to the commercialization of PSCs are their volatility toward environmental conditions and the presence of lead (Pb). To solve this, the scientific community has come up with double perovskites having a general molecular formula of A2BB′X6. In this study, we introduce a novel structure Cs2AuBiCl6 as an absorber due to its non-toxic nature and stable performance. Also, the electron transport layer (ETL) and hole transporting layer (HTL) play key roles in the performance and stability of PSCs. But most of the widely used HTL and ETL materials are very costly and have complex synthesizing process. Here, we use a novel HTL material graphene oxide (GO) as HTL and ZnSe as ETL, both of them being cheap, non-toxic, and easily available. We investigate for the first time ever the performance of a ZnSe/Cs2AuBiCl6/GO structure using the Solar Cell Capacitance Simulator (SCAPS-1D) software. Results indicate that the optimized thickness was 1 μm for absorber and 0.1 μm for HTL. The device efficiency improved with increasing the shunt resistance to 50 Ω, while it deteriorated with series resistance. Finally, all the output parameters declined with the rise in the operating temperature beyond 300 K. The elicited results suggest that Cs2AuBiCl6 and GO can play a momentous role in achieving highly efficient lead-free, inorganic perovskite solar cells.

In this study, numerical analysis on an Sn-based planner heterojunction perovskite device structure of Glass/ FTO/ ZnO/ CH3NH3SnI3/ CZTS/ Metal, with CH3NH3SnI3 as an absorber layer, was performed by using the solar cell device simulator SCAPS 1D. As an electron transport layer (ETL) and a hole transport layer (HTL), inorganic materials ZnO and CZTS (kesterite) were used. To optimize the device, the thickness of the absorber, electron, and hole transport layers, defect density, and absorber doping concentrations were varied, and their impact on device performance was evaluated. The effect of temperature and work function of various anode materials were also investigated. The optimum absorber layer thickness was found at 750 nm for the proposed structure. The acceptor concentration with a reduced defect density of the absorber layer enhances device performance significantly. For better performance, a higher work function anode material is required. The optimized solar cell achieved a maximum power conversion efficiency of 30.41% with an open-circuit voltage of 1.03 V, a short circuit current density of 34.31 mA/cm2, and a Fill Factor 86.39%. The proposed cell structure also possesses an excellent performance under high operating temperature indicating great promise for eco-friendly, low-cost solar energy harvesting.

In recent years, the advancement of solar cell technology is increased by leaps and bounds and it is also used to achieve a solution for the worldwide huge need for generation of energy and electricity. The colloidal quantum dot (CQD) offers a size-tuned bandgap and materials processing compatibility with a range of substrates. QDSC (Quantum dot solar cell) have advantages such as low cost, high efficiency, and replaces bulky material (Cadmium Selenide, Lead Selenide etc over traditional solar cell. “Despite these advantages, it lags due to carrier recombination in the Quasi-Neutral Region (QNR). The performance of the solar cell greatly depends on the electron transport layer (ETL) and hole transport layer (HTL). To investigate the feasibility of a highperformance device, a comparative investigation of the PbS-EDT and Spiro-OMeTAD hole transport layers has been done. For this, we have varied the various parameters upon which performance of solar cells is dependent in order to maximise the performance. All simulations study has been performed using SCAPS-1D simulator. The overall maximum optimized performance of the photovoltaic solar cell of 16.29% is obtained using TiO2 and PbS-TBAI(tetrabutylammonium iodide) as a ETL and absorber layer respectively. Our research demonstrates that an efficient quantum dot solar cell could be fabricated experimentally using the optimal device structure.

Organic light emitting devices with doped electron transport and hole blocking layers

The perovskite exhibited outstanding performance and was a promising alternative material for a low-cost, high power conversion efficiency (PCE) solar cell application. To avoid the high-cost organic materials as electron transport layers (ETL) and hole transport layers (HTL) in perovskite solar cells (PSCs), here introduce the inorganic semiconductor nanomaterials ZnS and CuS work as an ETL and HTL, respectively. In this work, we selected chalcogenides such as zinc sulfide (ZnS) and copper sulfide (CuS) as the 2-electron and hole transport layers and utilized them for perovskite solar cell application. For the proposed cell structure FTO/ZnS/perovskite (CH3NH3PbI3)/CuS/Ag, the deposition of layers has been achieved via different techniques such as thermal evaporation, spin coating and doctor blade, respectively. X-ray diffraction and Field effect scanning electron microscopy (FESEM) with Energy-dispersive X-ray spectroscopy were used to characterize the structural and morphological properties of the prepared samples. UV-Visible spectrophotometer and current density-voltage curve were used to measure the optical and electrical parameters of the deposited layers, respectively. From the J-V characteristics, for the proposed and fabricated PSCs, the estimated PCE is about 0.28 %, open-circuit voltage (VOC) = 0.29 V, and short-circuit current density (JSC) = 3.96 mA/cm2. The results are good and the inorganic nanomaterial layers used in this study are promising for future studies. HIGHLIGHTS In this study, chalcogenide materials such as zinc sulphide (ZnS) as the electron transport layer and cadmium sulfide (CdS) as the hole transport layer in solar perovskite cell applications were investigated Use easy and simple deposit methods such as chemical bath deposition and doctor blade method The possibility of using chalcogenide materials in the field of perovskite solar cells, although the efficiency of the obtained cell is very small, is an indication of the response of such materials in the application of perovskite solar cells GRAPHICAL ABSTRACT

Optimization of layer thickness of ZnO based perovskite solar cells using SCAPS 1D

Optimization of Sr3NCl3-based perovskite solar cell performance through the comparison of different electron and hole transport layers

Carrier Dynamics Engineering for High-Performance Electron-Transport-Layer-free Perovskite Photovoltaics

A lead-free, completely inorganic, and nontoxic Cs2TiBr6-based double perovskite solar cell (PSC) was simulated via SCAPS 1-D. La-doped BaSnO3 (LBSO) was applied as the electron transport layer (ETL) unprecedentedly in the simulation study of PSCs, while CuSbS2 was utilized as the hole transport layer (HTL). wxAMPS was used to validate the results of SCAPS simulations. Moreover, the first-principle density function theory (DFT) calculations were performed for validating the 1.6 eV bandgap of the Cs2TiBr6 absorber. To enhance the device performance, we analyzed and optimized various parameters of the PSC using SCAPS. The optimum thickness, defect density, and bandgap of the absorber were 1000 nm, 1013 cm−3, and 1.4 eV, respectively. Furthermore, the optimum thickness, hole mobility, and electron affinity of the HTL were 400 nm, 102 cm2V−1 s−1, and 4.1 eV, respectively. However, the ETL thickness had a negligible effect on the device's efficiency. The optimized values of doping density for the absorber layer, HTL, and ETL were 1015, 1020, and 1021 cm−3, respectively. Herein, the effect of different HTLs was analyzed by matching up the built-in voltage (Vbi) in respect of the open-circuit voltage (VOC). It was found that the Vbi was directly proportional to the VOC, and CuSbS2 was the champion in terms of efficiency for the PSC. The optimum work function of metal contact and temperature of the PSC were 5.9 eV and 300 K, respectively. After the final optimization, the device achieved an exhilarating PCE of 29.13%. Novelty Statement LBSO was used as the ETL for the very first time in the simulation study of PSCs, while CuSbS2 was utilized as the HTL. DFT calculations were performed to understand the electronic behavior of Cs2TiBr6 absorber and validation of the SCAPS simulation results was accomplished via wxAMPS. Different parameters of the absorber layer, ETL, and HTL were optimized using SCAPS and a PCE of 29.13% was achieved after the final optimization of the device.