Double Perovskite Solar Cells Research Articles

SCAPS-1D Modeling of Hydrogenated Lead-Free Cs2AgBiBr6 Double Perovskite Solar Cells with a Remarkable Efficiency of 26.3.

In this investigation, we employ a numerical simulation approach to model a hydrogenated lead-free Cs2AgBiBr6 double perovskite solar cell with a p-i-n inverted structure, utilizing SCAPS-1D. Contrary to traditional lead-based perovskite solar cells, the Cs2AgBiBr6 double perovskite exhibits reduced toxicity and enhanced stability, boasting a maximum power conversion efficiency of 6.37%. Given its potential for improved environmental compatibility, achieving higher efficiency is imperative for its practical implementation in solar cells. This paper offers a comprehensive quantitative analysis of the hydrogenated lead-free Cs2AgBiBr6 double perovskite solar cell, aiming to optimize its structural parameters. Our exploration involves an in-depth investigation of various electron transport layer materials to augment efficiency. Variables that affect the photovoltaic efficiency of the perovskite solar cell are closely examined, including the absorber layer's thickness and doping concentration, the hole transport layer, and the absorber defect density. We also investigate the impact of the doping concentration of the electron transport layer and the energy level alignment between the absorber and the interface on the photovoltaic output of the cell. After careful consideration, zinc oxide is chosen to serve as the electron transport layer. This optimized configuration surpasses the original structure by over four times, resulting in an impressive power conversion efficiency of 26.3%, an open-circuit voltage of 1.278 V, a fill factor of 88.21%, and a short-circuit current density of 23.30 mA.cm-2. This study highlights the critical role that numerical simulations play in improving the chances of commercializing Cs2AgBiBr6 double perovskite solar cells through increased structural optimization and efficiency.

Enhancing the performance of lead-free La2NiMnO6 double perovskite solar cells through SCAPS-1D optimization

Enhancing the performance of lead-free La2NiMnO6 double perovskite solar cells through SCAPS-1D optimization

Investigating the Impact of Interfacial Layers on Device Performance of Highly Stable Cs2InBiBr6Based Double Perovskite Solar Cells

AbstractPerovskite solar cells, a third‐generation photovoltaic technology, have recently emerged as a game‐changing innovation. However, lead (Pb) is a toxic heavy metal, and it is crucial to explore lead‐free perovskite solar cells with continuously improving efficiency for long‐term development. Recently, materials researchers have discovered a lead‐free double perovskite solar cell material, Cs2InBiBr6with a small direct bandgap of 1.27 eV and strong thermodynamic and mechanical structural stability. The power conversion efficiency of Cs2InBiBr6‐based perovskite solar cells is not reported yet. To investigate its potential, a solar cell capacitance simulator to analyze the solar cell structure of FTO (Fluorine Doped Tin Oxide)/ETL (Electron Transport Layer)/Cs2InBiBr6/HTL (Hole Transport Layer)/Au, selecting appropriate hole transport materials and electron transmission materials to achieve high efficiency is used. Moreover, this study explores the impact of several factors, including absorber layer thickness, acceptor and donor doping density, and the influence of total defect density of the perovskite and interface layers on the performance of solar cells. Advanced device characterization methods such as Mott‐Schottky analysis are performed to unravel the effect of interfaces on the device performance. The solar cell with the device structure FTO/TiO2/Cs2InBiBr6/Cu2O/Au achieves an outstanding PCE of 23.64% demonstrating the immense potential of Cs2InBiBr6as a lead‐free double perovskite solar cell absorber layer.

High-Efficiency Lead-Free La2NiMnO6-Based Double Perovskite Solar Cell by Incorporating Charge Transport Layers Composed of WS2, ZnO, and Cu2FeSnS4

High-Efficiency Lead-Free La₂NiMnO₆-Based Double Perovskite Solar Cell by Incorporating Charge Transport Layers Composed of WS₂, ZnO, and Cu₂FeSnS₄

Numerical simulation of highly efficient Cs2AgInBr6-based double perovskite solar cell using SCAPS 1-D

Lead-free Double Perovskite Solar Cells (DPSCs) have garnered significant research attention in recent times because of its viability as a promising perovskite absorber layer in the device architecture along with its reasonable cost, remarkable stability and high performance. The lead and non-biodegradable material-based Perovskite solar cells (PSCs) are still a hurdle to its commercialization. We have investigated a non-toxic inorganic material i.e., Cs2AgInBr6 using SCAPS-1D software. We optimized various parameters like Defect density (Nt), thickness, operating temperature and electron affinity (χ) of perovskite absorber layer (Cs2AgInBr6). Effect of various ETLs and HTLs on the performance device is also analyzed. The Simulation result shows that at an absorber layer thickness of 600 nm, the Cs2AgInBr6-based DPSC has achieved maximum efficiency of 26.9 %.

Non‐Toxic and Stable Double Perovskite Solar Cells Based on Cs2AgSbX6 Light Harvester: First Principle Calculations‐Aided Theoretical Estimation

AbstractOwing to the low long‐term stability and high toxicity, high‐efficiency perovskite solar cells are yet to be commercialized. Therefore, it is imperative to find a reliable and environmentally benign alternative perovskite light harvester. Herein, the study presents a non‐toxic double perovskite light harvester based on Cs2AgSbX6 (where X = Cl, Br, and I) as a substitute, which can render both high efficiency and long‐term durability. The optoelectronic properties of the Cs2AgSbX6 double perovskite light harvesters are investigated with the Cambridge Serial Total Energy Package (CASTEP) software package that is committed to density functional theory (DFT). The bandgap (indirect) tunability of Cs2AgSbX6 double perovskite light harvesters and associated changes in the density of states (DOS) are explored. The obtained results are further loaded as input to the SCAPS‐1D software package to assess the potential of Cs2AgSbX6 double perovskite solar cells. With the FTO/AZnO/Cs2AgSbX6/MoO3/rear contact device structure, the thickness and bulk defect density of the Cs2AgSbX6 light harvester have superior control over the performance of the double perovskite solar cells. The highest theoretical efficiency of ≈29.9% is estimated for the Cs2AgSbI6 light harvester. Additionally, the effectiveness of several prospective back electrodes is examined.

Optimization of highly efficient inorganic lead-free double perovskite solar cells via SCAPS-1D

Optimization of highly efficient inorganic lead-free double perovskite solar cells via SCAPS-1D

Modelling of Germanium-Based Perovskite Solar Cell for Different Hole Transport Materials and Defect Density

The performance of four distinct materials (organic and inorganic) was simulated and analyzed as hole transport layer (HTL) in the design of germanium (Ge)-based Perovskite Solar Cell (PSC). A 1-dimensional numerical software (SCAPS 1-D) has been applied to simulate the HTL candidates: spiro-OMeTAD, PTAA, nickel oxide (NiO), and copper (I) thiocyanate (CuSCN), with tin (IV) dioxide (SnO2) as the electron transport layer (ETL). The thickness of the methylammonium germanium iodide (CH3NH3GeI3) absorber was varied from 300 nm to 1100 nm, and the highest simulated power conversion efficiency was achieved at a thickness of 800 nm for all HTL candidates. It was observed that the inorganic CuSCN outperformed its counterparts with a power conversion efficiency (PCE) of 25.38%. The effect of the perovskite absorber’s defect density was investigated, and ultimately, it was demonstrated that this value is disproportionately related to the PCE. A reduction of nearly 98% in PCE was recorded when the defect density increased from 1x1014 cm-3 to 1x1020 cm-3. Additionally, for a constant ETL thickness of 80 nm, it was revealed that the PCE would decrease slightly, ranging from 0.1% to 0.3%, with an increase in HTL thickness from 50 nm to 300 nm. Comparing the PCE of our current work with published reports further justifies its competitiveness. Full Text: PDF References W.R. Becquerel, "Becquerel Photovoltaic Effect in Binary Compounds", J. Chem. Phys. 32, 1505 (1960). CrossRef A. Kojima, K. Teshima, Y. Shirai, T. Miyasaka, "Organometal Halide Perovskites as Visible-Light Sensitizers for Photovoltaic Cells", J. Am. Chem. Soc. 131, 6050 (2009). CrossRef M.M. Salah, K.M. Hassan, M. Abouelatta, A. Shaker, "A comparative study of different ETMs in perovskite solar cell with inorganic copper iodide as HTM", Optik 178, 958 (2019). CrossRef S. Rai, B. Pandey, A. Garg, D. Dwivedi, "Hole transporting layer optimization for an efficient lead-free double perovskite solar cell by numerical simulation", Opt. Mater, 121, 111645 (2021). CrossRef H. Liangsheng, Z. Min, S. Yubao, M. Xinxia, W. Jiang, Z. Qunzhi, F, Zaiguo, L. Yihao, H. Guoyu, L. Tong, "Tin-based perovskite solar cells: Further improve the performance of the electron transport layer-free structure by device simulation", Sol. Energy, 230, 345 (2021). CrossRef K. Fatema, M. Arefin, "Enhancing the efficiency of Pb-based and Sn-based perovskite solar cell by applying different ETL and HTL using SCAPS-ID", Opt. Mater. 125, 112036 (2022). CrossRef P. Patel, "Device simulation of highly efficient eco-friendly CH3NH3SnI3 perovskite solar cell", Sci. Rep., 11, 3082 (2021). CrossRef P. Roy, Y. Raoui, A. Khare, "Design and simulation of efficient tin based perovskite solar cells through optimization of selective layers: Theoretical insights", Opt. Mater., 125, 112057 (2022). CrossRef A.I. Azmi, M.Y. Mohd Noor, M.H.I. Ibrahim, F. Ahmad, M.H. Ibrahim, "A Numerical Simulation of Transport Layer Thickness Effect in Tin-Based Perovskite Solar Cell", JJEE, 8, 355 (2022). CrossRef A.A. Kanoun, M.B. Kanoun, A.E. Merad, S. Goumri-Said, "Toward development of high-performance perovskite solar cells based on CH3NH3GeI3 using computational approach", Sol. Energy, 182, 237 (2019). CrossRef A. Hima, N. Lakhdar, "Enhancement of efficiency and stability of CH3NH3GeI3 solar cells with CuSbS2", Opt. Mater., 99, 109607 (2020). CrossRef S.T. Jan, M. Noman, "Influence of layer thickness, defect density, doping concentration, interface defects, work function, working temperature and reflecting coating on lead-free perovskite solar cell", Sol. Energy, 237, 29 (2022). CrossRef

Design and Performance Optimization of Eco-friendly Cs2AgBiBr6 Double Perovskite Solar Cell

Design and Performance Optimization of Eco-friendly Cs2AgBiBr6 Double Perovskite Solar Cell

Surface oxidized Ti3C2 MXene: Lead-free Cs2AgBiBr6 double perovskite solar cell efficiency enhanced by interfacial engineering

In this study, thermal oxidation method is followed to prepare surface oxidized titanium carbide (TiO2-Ti3C2) nanomaterial. Here, the formation of anatase phase TiO2 nanoparticles over the surfaces of Ti3C2 MXene is confirmed by UV–Vis, FT-IR, XRD and FE-SEM and HR-TEM studies. The TiO2-Ti3C2 MXene acts an interfacial layer in double perovskite solar cell that exhibits high open circuit voltage (Voc of 1.01 V), short circuit current density (Jsc of 2.64 mA/cm−2), fill factor (FF of 0.55) and power conversion efficiency (PCE of 1.35%) under ambient conditions. Hence, we suggest that this surface modified material will be useful for double perovskite photovoltaics applications.

High-performance optimization and analysis of Cs2AgBiBr6-based lead-free double perovskite solar cells

High-performance optimization and analysis of Cs2AgBiBr6-based lead-free double perovskite solar cells

Molecular Tailoring of Pyridine Core-Based Hole Selective Layer for Lead Free Double Perovskite Solar Cells Fabrication.

To solve the toxicity issues related to lead-based halide perovskite solar cells, the lead-free double halide perovskite Cs2AgBiBr6 is proposed. However, reduced rate of charge transfer in double perovskites affects optoelectronic performance. We designed a series of pyridine-based small molecules with four different arms attached to the pyridine core as hole-selective materials by using interface engineering. We quantified how arm modulation affects the structure-property-device performance relationship. Electrical, structural, and spectroscopic investigations show that the N3,N3,N6,N6-tetrakis(4-methoxyphenyl)-9H-carbazole-3,6-diamine arm's robust association with the pyridine core results in an efficient hole extraction for PyDAnCBZ due to higher spin density close to the pyridine core. The solar cells fabricated using Cs2AgBiBr6 as a light harvester and PyDAnCBZ as the hole selective layer measured an unprecedented 2.9% power conversion efficiency. Our computed road map suggests achieving ∼5% efficiency through fine-tuning of Cs2AgBiBr6. Our findings reveal the principles for designing small molecules for electro-optical applications as well as a synergistic route to develop inorganic lead-free perovskite materials for solar applications.

Improved Photovoltaic Performances of Lead‐Free Cs2AgBiBr6 Double Perovskite Solar Cells Incorporating Tetracene as Co‐Hole Transport Layer

Cs2AgBiBr6 double perovskite compounds are increasingly studied in recent years as promising candidates able to counter polluting, harmful, and oxygen‐/moisture‐sensitive issues intrinsic to traditional lead‐containing solar cells. Exhibiting high optical absorption coefficient, low toxicity, and important structural stability, Cs2AgBiBr6 solar cells still suffer from limited absorption of low‐energy photons, low carrier mobility, and limited carrier lifetimes induced by defect states. Herein, for the first time, a molecular layer of tetracene is introduced within a Cs2AgBiBr6‐based photovoltaic architecture: being incorporated at the interface between the double perovskite photoabsorber and spiro‐OMeTAD hole transport material, tetracene allows for a suitably graded cascade of energy bands within the solar cell architecture, which ultimately improves interfacial charge transfers and reduces charge recombination. The performances in photovoltaic devices are consequently enhanced versus tetracene‐free configurations, with champion values of open‐circuit voltages of 1.1 V (vs. 1.0 V), current densities of 2.5 mA cm−2 (vs. 1.9 mA cm−2), and photoconversion efficiencies of 1.7% (vs. 1.3%) with reduced hysteretic behavior.

Examining the potential of non-toxic stable double perovskite solar cells based on Cs2CuSbX6

The main issues impeding the commercialization of perovskite solar cells are their toxicity and long-term stability. Thus, it is essential to find a robust and reliable alternative light absorber that is environmentally friendly and provides stability. Herein, we present stable and lead-free Cs2CuSbX6 (where X = Cl, Br, and I) double perovskite light harvesters as a substitute, which can render excellent efficiency and long-term stability. The double perovskite solar cells based on the Cs2CuSbX6 light harvester, the aluminium-doped ZnO electron transport layer, and the MoO3 and Cu2O hole transport layers are critically evaluated using the SCAPS-1D software package. The densities of defects and dopants as well as the thickness of the succeeding layers of the double perovskite solar cells are altered to extract high efficiency. With aluminium-doped ZnO serving as the electron transport layer, the optimized Cs2CuSbI6-based double perovskite solar cells attain a power conversion efficiency (PCE) of about ∼29% for both MoO3 and Cu2O hole transport layers. Several potential back electrodes are also investigated, and their impact on performance is assessed. The fluctuation in PCE concerning operating temperature is computed for authentic analysis of the double perovskite solar cells during real-time operation. Overall, in order to achieve high PCEs in Cs2CuSbI6-based double perovskite solar cells, it is crucial to consider both the thickness of the light harvester layer and the bulk defect density.

Numerical analysis of Cs2AgBiBr6 double-perovskite solar cell with optimized performance

Double-perovskite solar cells (DPSCs) are environment-friendly materials used for the efficient conversion of solar energy to electrical energy, enabling significant growth in the development of the photovoltaic community. In this study, the Solar Cell Capacitance Simulator in One Dimension (SCAPS-1D) software was used for the study of Cs2AgBiBr6 absorber-based DPSCs with tin (IV) oxide (SnO2) and molybdenum trioxide (MoO3) as the electron transport layer and hole transport layer, respectively. Parameters such as short-circuit current density (J sc), fill factor (FF), open-circuit voltage (V oc), power conversion efficiency (PCE) and quantum efficiency were analyzed under different working temperatures, absorber thicknesses, metal work functions and defect concentrations. After the optimization of the device, the following electrical parameters of perovskite solar cells were obtained: a PCE of 11.41%, a J sc of 9.4741 mA/cm2, an FF of 72.61% and a V oc of 1.419 V. This configuration allows characterization of the basic solar cell features necessary to achieve high-performance outcomes for photovoltaic devices.

Improving the efficiency of a FTO/PCBM/Cs2AgBiBr6/NiOx/Au lead-free double perovskite solar cell using numerical simulation through optimizing the absorption layer thickness and work function of electrodes

Lead-free perovskite solar cells are proposed to reduce environmental toxicity. However, the efficiency of these solar cells is significantly lower than that of those based on lead. The maximum Photo Conversion Efficiency(PCE) reported experimentally for lead free solar cells is 6.37%, which is significantly lower than that of lead-based solar cells. Attempts have been made to improve the PCE of lead-free solar cells using numerical simulations in order to build a lead-free solar cell with the highest efficiency attainable. Recently, a lead-free solar cell with the configuration ITO/SnO2/Cs2AgBiBr6/P3HT/Au and a maximum PCE of 11.69% was numerically investigated. In this study, we suggested a lead-free solar cell structure using FTO/PCBM/Cs2AgBiBr6/NiOx/Au configuration and showed that,when operated in the wavelength range 400–700 nm, a PCE of 15.49% with Jsc = 8.17 mA/cm2, Voc = 2.49 V and FF = 76.16% can be attained by optimizing the thickness of the absorption layer and the work function of the electrode. While in the same configuration the PCE can be increased to 21.92% when operated in the wavelength range of 350–750 nm.This investigation's findings can be used to manufacture more efficient and stable lead-free solar cells forfuturenon-hazardous environmental applications.

Minimization of carrier recombination in La2NiMnO6 double perovskite solar cells by optimizing defects and band offsets

In the present work, an extensive study has been carried out on the parameters that govern the non-radiative recombination losses associated with the absorber double perovskite material. Four different device configurations have been proposed by incorporating different electron transport layers (ETL) namely tungsten disulfide (WS2), tungsten trioxide (WO3), zinc selenide (ZnSe), and strontium titanate (STO) with La2NiMnO6 (LNMO) double perovskite material as an active layer and cuprous oxide (Cu2O) as a hole transport layer (HTL). In this investigation, the role of band offsets in the collection, transportation, and recombination of charge carriers has been examined in detail. Further, the impact of thickness and the defect positions i.e. shallow defects and deep defects on the photovoltaic (PV) parameters of the cells has been thoroughly elucidated. The ideal barrier height between HTL and back contact (C, Ni, Ag, and Au) at various valence band maximum (VBM) levels has also been investigated for the proper collection of charge carriers. Interestingly, the results of the present simulation reveal that the WS2-based device with configuration FTO/WS2/LNMO/Cu2O/Au shows the highest PCE of 24.08% after optimization. The findings and interpretation of this work demonstrate that La2NiMnO6 an eco-friendly and non-toxic material can be used to produce high-efficiency perovskite devices.

Design and Performance Exploration of a Lead‐Free All‐Inorganic Hydrogenated Cs2AgBiBr6‐Based Double Perovskite Solar Cell: A Numerical Modeling Study

Lead‐free double perovskite Cs2AgBiBr6 has attracted wide attention owing to its nontoxic and stable properties. Recently, hydrogenated Cs2AgBiBr6 (HCABB) films have been shown to possess superior optoelectronic properties than pristine Cs2AgBiBr6, and the double perovskite solar cell (DPSC) based on the films broke the efficiency record of DPSCs as soon as it was proposed. However, its poor energy band alignment and thin absorber layer thickness prevent HCABB from realizing its full photovoltaic potential. In this article, we design a lead‐free all‐inorganic HCABB‐based DPSC for application purposes. To explore its photovoltaic potential, we numerically optimize the transport layer materials, the thickness and bulk defect density of the absorber layer, the interface defect densities, the back contact material, and the parasitic series and shunt resistances step by step for the HCABB‐based DPSC. We predict the HCABB‐based DPSC with the structure of FTO/Nb2O5/HCABB/CuI/Cu can achieve an open‐circuit voltage of 1.139 V, short‐circuit current density of 22.40 mA cm−2, fill factor of 83.35%, and power conversion efficiency of 21.28%. Overall, our work explores the photovoltaic potential of HCABB and provides guidance for fabricating more efficient HCABB‐based DPSCs.

Design and Simulation of Cs2BiAgI6 Double Perovskite Solar Cells with Different Electron Transport Layers for Efficiency Enhancement

Lead-free Cs2BiAgI6 has garnered a lot of research interest recently due to its suitability as a potential absorber layer in the solar cell (SC) architecture owing to its low cost, good stability, and high efficiency. The main highlight of this research work includes the photovoltaic (PV) performance enhancement of Cs2BiAgI6 double perovskite solar cells (PSCs) by optimizing the optoelectronic parameters of the absorber, electron transport layer (ETL), hole transport layer (HTL), and various interface layers. Solar Cell Capacitance Simulator One dimension (SCAPS-1D) numerical simulation was used to optimize the performance of Cs2BiAgI6 absorber-based SCs consisting of copper barium thiostannate (CBTS) as the HTL and TiO2, PCBM, ZnO, IGZO, SnO2, and WS2 as ETLs. The role of the non-lead cesium-based halide perovskite absorber layer in the improvement of the SC performance was systematically investigated through a variation in the thickness, doping density, and defect density of the absorber layer, ETL, and HTL. The performance of the investigated device architectures is largely dependent on the thickness of the absorber layer, acceptor density, defect density, and the combination of different ETLs and HTLs. We found that TiO2, PCBM, ZnO, IGZO, SnO2, and WS2 ETL-based optimized devices recorded a power conversion efficiency (PCE) of 23.14, 23.71, 23.69, 22.97, 23.61, and 21.72%, respectively. Furthermore, the effect of series and shunt resistances, temperature, capacitance, and Mott–Schottky for the six optimized devices was estimated along with the computation of the corresponding generation and recombination rates, current density–voltage (J–V), and quantum efficiency (QE) characteristics. The PV parameters obtained from this comprehensive analysis are finally compared with the earlier published theoretical and experimental reports on Cs2BiAgI6 absorber-based SCs.

Numerical assessment and optimization of highly efficient lead-free hybrid double perovskite solar cell

In this work, a performance assessment of a double perovskite Cs2BiCuI6 solar cell with the typical lead-based perovskite CH3NH3PbI3 as an active layer is presented using SCAPS-1D software. The theoretical analysis depicts the improvement in power conversion efficiency (PCE) for Cs2BiCuI6-based solar cells. This shows that in the coming future, the hybrid double perovskite Cs2BiCuI6 possess the capability to replace toxic CH3NH3PbI3-based solar cell which would help to create lead-free harmless solar cells. Detailed structural parameters optimization such as the absorbing layer thickness, and charge carrier mobility, and variation in interface defect density is carried out to enhance the device efficiency. This gives a PCE of 24.84 % for a hybrid double perovskite-based solar cell. The optimized values are 1013 cm−3, and 5 cm2 V−1 s−1 for interface defect density and carrier mobility respectively which also enhances the fill factor to 82 % with open circuit voltage of 1.28 V and 24.54 mA/cm2 short circuit current density Jsc.