Acceptor Density Research Articles

Achieving 31.16 % efficiency in perovskite solar cells via synergistic Dion-Jacobson 2D-3D layer design

Among environmental friendly energy sources solar energy is prominent one that can be harnessed via photovoltaic (PV) cells. The hybrid organic & inorganic perovskite solar cells (PSCs), have shown appealing PV performance. Halide-based perovskites (PVSK) offer several advantages, including low cost, high efficiency, and ease of fabrication. However, there are stability issues with these 3D perovskite materials. The solar device based on 2D PVSK materials are being used more and more in modern applications to address these problems. Ruddlesden-Popper (RP) & Dion-Jacobson (DJ) phases are the two main forms of 2D PVSK. These materials offer significantly greater stability compared to 3D perovskites, making them a promising alternative. In this study, we combine 2D and 3D perovskites to strengthen both reliability as well as efficiency of 3D PSCs. The present work explores the combined effect of DJ 2D-3D PVSK layers on device performance. The DJ 2D material used is PeDAMA4Pb5I16, while the 3D material is the lead-free, stable CsGeI3-xBrx (with x = 1). The optimized solar cell structure developed in this work consists of (Au/Cu2O/PeDAMA4Pb5I16/CsGeI3-xBrx/PCBM/FTO). A thorough analysis was performed on the impact of various ETLs and HTLs, as well as factors such as defect density (Nt), 2D-3D layer thickness, shallow acceptor density (NA), series (RS) and shunt resistances (RSh), and temperature variations. In the present work, PCE has significantly improved, reaching an amazing 31.16 %. Other noteworthy metrics include a JSC 22.55 mA.cm−2, FF 88.47 % and VOC 1.5617 V, all demonstrating exceptional performance. These results demonstrate the effectiveness of our approach in strengthening the efficiency and performance of DJ 2D-3D PSCs, highlighting their potential for future applications.

Influence of Bulk Defect Density in CIGS on the Efficiency of Copper Indium Gallium Selenide Photocell

In CIGS-based thin films, bulk defects are believed to represent disturbances in a regular, periodic arrangement within the atoms or the crystalline media, which influence sheet resistivity. In this study, resistivity measurements were carried out on CIGS thin films using the Van Der Pauw technique. Then, a comparison between two Van Der Pauw four-point measurement configurations (aligned and square) was made, which showed that the square configuration was the most appropriate configuration that can be recommended to measure the thin film sheet resistance of CIGS films. Finally, a numerical simulation using SCAPS-1D software was used to study the influence of bulk defect density in CIGS films as an absorber layer in a model photocell. Using the simulated data, three operating zones for the model photocell were identified depending on its bulk defect density concentration. The influence of bulk defects on thickness, band gap, and doping were then analyzed. It was revealed that when the bulk defect density was less than 5 × 1013 cm−3 5.1013 cm−3 for an absorber of thickness in the order of over 3 μm, a band gap between 1.3 eV–1.4 eV and acceptor density of NA = 1016 cm-31016 cm−3 were the optimal operating conditions for the model photocell. It was concluded that the CIGS layer used as an absorber can be improved if its bulk defect density is tuned to optimal levels.

Advancements in the photovoltaic optimization of a high performance perovskite solar cell based on graphene oxide (GO) hole transport layer

The increasing demand for efficient and sustainable green energy solutions has intensified the search for high-performance photovoltaic technologies. Herein, solar cell capacitance simulator (SCAPS-1D) is employed to simulate a novel solar cell design of the configuration, ITO/PC61BM/CH3NH3SnI3/GO/Fe. Various HTLs and electron transport layers (ETLs) are tested for comparison where graphene oxide (GO) HTL and PC61BM ETL exhibited exceptional electrical outcomes. The optimized PSC achieves a power conversion efficiency (PCE) of 36.27 % with Voc of 1.3462 V, Jsc of 34.84 mA/cm², and FF of 77.32 %. The built-in voltage (Vbi) of 0.31 V was derived from the band diagram at 300 K. Further exploration of the Mott-Schottky capacitance characteristics revealed that both donor and acceptor densities influence device performance. Notably, the Vbi remained stable at 0.32 V despite varying donor densities from 10¹⁰ cm⁻³ to 10¹⁹ cm⁻³, while increasing the acceptor density improved the Vbi from 0.2 to 0.72 V, suggesting remarkable operational performance at higher acceptor concentrations. This model device achieves maximum quantum efficiency of 100 % between 360 and 700 nm, therefore it exhibits a good photon capture for enhanced power conversion. Although the present study is based on numerical analysis, the findings inspire the promise of fabricating a physical solar cell of robust operational performance that can be injected into the production workflow for possible commercial scalability.

Sputter-Deposited copper iodide thin film transistors with low Operating voltage

This paper reports on a back-gated p-type thin film transistor (TFT) with copper iodide (CuI) as the channel material, a HfO2 gate dielectric layer, and Al2O3 passivation. The γ-CuI channel was deposited from a CuI target using DC magnetron sputtering at room temperature. Our TFT can be fully shut off by VG = 4 V, with a field-effect channel hole mobility μh ∼ 1.5–2 cm2 V−1 s−1. An anneal in forming gas was performed twice, once at 200 °C, then at 250 °C to improve gate control, yielding a final Ion/Ioff current ratio of ∼ 250. The anneal served two purposes: to reduce the oxygen acceptor density in the CuI channel and reduce the concentration of interface states between the CuI, Al2O3 passivation, and HfO2. A model of the device was built in an industrial TCAD simulator, which reproduces the measured characteristics and allows an estimation of interface state densities and channel doping.

Deconvolution of light- and heavy-hole contributions to measurements of the temperature-dependent Hall effect in zincblende copper iodide

This study presents a detailed experimental investigation of conductivity and Hall effect measurements in copper iodide (CuI), which is complemented by density-functional theory and Boltzmann-transport calculations. We have evaluated the temperature dependence of the transport data of solution-grown bulk single crystals, textured thin films grown by pulsed laser deposition, and additional data published in the literature. The density of compensating donorlike defects is determined from fits comprising ionized-impurity scattering. This is considered for determining acceptor densities and corresponding activation energies. In the course of this investigation, meticulous attention has been paid to the intricate interplay between light-hole and heavy-hole contributions, as well as the experimental values observed in zincblende CuI. This study has yielded two distinct ionization energies for acceptors in unintentionally doped CuI, with values of EI,1=95 meV and EI,2=330 meV, respectively. Published by the American Physical Society 2024

A thorough investigation of HTL layers to develop and simulate AgCdF3-based perovskite solar cells

Perovskite photocells are gaining attention mainly because of their special features. The purpose of this work is to use the SCAPS-1D simulator to model the action of absorbers in perovskite photocells that are based on silver cadmium fluoride. This research investigates how varying HTLs (Cu2O and P3HT) combined with an In2S3 ETL influence the efficiency of these solar cells. The PCEs are 30.33 and 30.02 %, with VOC of 0.91 and 0.90 V, JSC of 42.00 and 41.88 mAcm−2, and FF of 79.45 and 79.59 % for Cu2O and P3HT HTLs, respectively. After optimizing the device (Al/FTO/In2S3/AgCdF3/Cu2O/Ni), this study also looks at how the optimized thickness of ETL and HTL, acceptor density, donor and defect density, temperature, J-V and QE properties, generation and recombination rates, series, and shunt resistance impact performance. This comprehensive simulation research enables scientists to create cost-efficient and highly effective PSCs, furthering advancements in solar technology.

Performance optimization of FASnI3 based perovskite solar cell through SCAPS-1D simulation

The article provides a detailed look at the fabrication of a high-performance structure for FASnI3-based perovskite solar cells (PSCs). The FTO/CeO2/FASnI3/CuI/Au structure is designed using the Solar Cell Capacitance Simulator in One Dimension (SCAPS-1D) to investigate the fabricated PSC's performance. This investigation's main objective is to improve PSCs performance by using non-traditional Hole transport layer (HTL) and Electron transport layer (ETL) materials, such as CeO2 and CuI, which have both been the subject of limited research. Moreover, the investigation seeks to determine the impact of several perovskite layer characteristics, including bandgap (Eg), electron affinity (χ), acceptor density (NA), thickness (t), and defect density (Nt). Additionally, this study also investigates the effect of various back contact work functions. Significant improvements in solar cell parameters, such as power conversion efficiency (PCE) from 22.06% to 24.87% and current density (Jsc) from 26.0274 to 30.675 mA/cm2, were observed by optimizing the device's parameters. In contrast, the fill factor (FF) and open circuit voltage (Voc) decreased their values from 86.13% to 87.10% and 0.9843 to 0.9308 V, respectively. These findings show that our designed solar cell structure performs better than those with conventionally used HTLs and ETLs. Consequently, this study highlights the potential benefits of lead-free PSCs and presents fresh opportunities for their development and use in various solar applications.

Optimizing CuInSe2 solar cells with kesterite-based upper absorber and back surface field layers for enhanced efficiency: a numerical study

Abstract This study explores the performance enhancement of an innovative multi-layer solar cell structure using the SCAPS-1D (Solar Cell Capacitance Simulator in One Dimension) software. We aim to improve the efficiency of a solar cell structure comprising ZnO/ZnSe/CZTSe/CuInSe2/CZTSSe/Mo by incorporating CZTSe as the upper absorber layer, CuInSe2 as the main absorber layer, and CZTSSe as a back surface field (BSF) layer. Initially, we compare the performance of three different configurations by analyzing their J-V characteristics. For the best performing structure, we further examine the external quantum efficiency (EQE) spectrum. We then evaluate various window (ZnO, ZnMgO, SnO2, Zn2SnO4) and buffer (ZnSe, ZrS2, SnS2, In2S3) materials, identifying ZnO and ZrS2 as the most effective for achieving high current density and efficiency. Through detailed simulations, we determine the optimal thicknesses for CZTSSe (0.2 µm), CZTSe (0.4 µm), and CuInSe2 (3.2 µm). Additionally, by optimizing the acceptor density to 1020 cm−3, we significantly enhance the performance of both CZTSe and CZTSSe layers. Temperature management is shown to be crucial, with the highest efficiency observed at 300 K. As a result of these optimizations, the solar cell structure achieves a remarkable efficiency of 35.38%. Furthermore, we compare our results with existing literature to highlight the advancements made in this study. These findings underscore the importance of material selection and structural optimization in developing high-efficiency solar cells and provide a framework for future advancements in photovoltaic technology.

Achieving beyond 30% efficiency for hole-transport-layer-free CsSnI3 perovskite solar cell: a comprehensive simulation study

In recent years, the growing significance of lead-free CsSnI3 perovskite can be credited to its outstanding optoelectronic properties and environmentally friendly nature. Nevertheless, the photovoltaic potential of CsSnI3 is limited due to challenges in achieving defect-free device structures. The current study thoroughly analyzed the performance of CsSnI3-based perovskite solar cells (PSCs) using the SCAPS-1D software. An in-depth investigation was performed on multiple physical parameters, including the thickness of perovskites layer, acceptor density (NA), operating temperature, defect densities, shunt resistance (RSh) and series resistance (RS). This comprehensive study aimed to identify the optimal device configuration that yields the highest power conversion efficiency (PCE) for the hole-transport-layer (HTL)-free CsSnI3-based PSCs. The obtained results confirmed that it is crucial to decrease the number of defects (Nt) at the perovskites/electron transport layer (ETL) interface to improve the efficiency of CsSnI3-based PSCs. The optimized device demonstrated exceptional performance, achieving an open-circuit voltage (VOC) of 1.12 V, a fill factor (FF) of 85.08%, a short-circuit current density (JSC) of 33.29 mA cm−2 and an efficiency of 31.87%. This high efficiency simulated result provide valuable insights into the design of high-performance CsSnI3-based PSCs, paving the way for potential breakthroughs in cost-effective and eco-friendly solar energy technologies.

Design and numerical investigation of Cs2SnI6 vacancy-ordered double perovskite solar cell

Perovskite solar cells (PSCs) represent an emerging technology in solar photovoltaics due to their outstanding optical and electrical characteristics. The urgency of lead-free solar materials has increased due to the environmental concerns. In light of these considerations, Cs2SnI6, a high-performance tin-based double perovskite, holds the potential to be a key absorber material in promoting the cell efficiency. In this paper, a device design of lead-free Cs2SnI6-based PSC is proposed based on an n-i-p planar structure. Through a comprehensive analysis by simulation using SCAPS-1D, the impacts of electron transport layer materials (SnO2, TiO2, CdS, GO, MZO) and hole transport layer materials (MoO3, Cu2O, CuI, Spiro-OMeTAD) with varying thicknesses as well as the donor density, acceptor density and the absorber thickness have been examined. Additionally, an examination is conducted on the performance metrics of PSCs, encompassing Voc, Jsc, FF, and PCE, while taking into consideration the influences of temperature, Rseries, and Rshunt. The results show that the optimized FTO/SnO2/Cs2SnI6/MoO3/Au device presents the highest PCE of 22.60 % at 300 K temperature, together with a visible quantum efficiency of 99.49 %. The appropriate thicknesses of the ETL, HTL, and absorber layer for achieving the optimal performances are 50 nm, 200 nm, and 450 nm, respectively. Also, the donor density and acceptor density for the best efficiency are both at 1018 cm−3. The values of Rseries, and Rshunt are 2 Ω cm2 and 6000 Ω cm2, respectively. This investigation demonstrates that the proposed vacancy-ordered double perovskite Cs2SnI6 solar cell is promising for photovoltaic devices due to the highlighted characteristics and optical parameters.

Design and optimization study of all inorganic based double-absorption- layer CsPbI3/MoS2 heterojunction perovskite solar cells by SCAPS-1D

In recent years, perovskite solar cells (PSCs) continue to be a popular issue due to their high-power conversion efficiency (PCE%) and cost-effective production process. The CsPbI3 absorber layer used to produce PSCs limits the efficiency of the structure because it can absorb low-energy photons. Therefore, in this study, for the first time, CsPbI3 and CsPbI3/MoS2 single and double absorber based inorganic heterojunction PSCs were studied in detail, compared and optimized by using Solar Cell Capacitance Simulator (SCAPS-1D) software package. We discussed how the photovoltaic efficiency changed based on the open-circuit voltage (Voc), circuit current density (Jsc), quantum efficiency (QE), PCE% and fill factor (FF) relies on layer thickness, operating temperature, defect density (Nt), acceptor (NA) and donor density (ND), and heterojunction design. CuSbS2 and PCBM were chosen as the HTL and ETL layers, respectively. Depending on the results obtained from the SCAPS-1D, the optimum parameters for the Au/HTL/CsPbI3/ETL/FTO single layer device were determined as Thickness = 300 nm, Nt = 1011 cm-3, NA = 1013 cm-3, and T = 310 K. Then, the optimum parameters of MoS2 for the Au/HTL/CsPbI3/MoS2/ETL/FTO double layer-based device were determined as Thickness = 600 nm, Nt = 1010 cm-3 and ND = 1018 cm-3. It has been observed that MoS2 increases the light absorption capacity of the PSC device. As a result, the solar cell efficiency of the device with MoS2 has improved from 20.44 % to 40.66 % compared to the single-layer device. Additionally, in this study, presented a new approach for the future development at highly efficient, stable and completely inorganic PSCs integrated with transition metal dichalcogenide(TMDs; MoS2) materials.

Enhancing efficiency and performance of Cs2TiI6-based perovskite solar cells through extensive optimization: A numerical approach

The commercial production of lead-based perovskite solar cells (PSCs) is hindered due to toxicity difficulty and all Ti-based all-inorganic PSCs may give a practical solution to these problems. This work optimizes the different layers of a PSC based on the Cs2TiI6 absorber layer. In order to produce four unique structures, ten distinct HTLs are considered to identify the best HTL, and after that four ETLs are utilized. These structures are then optimized using SCAPS 1D simulation software. The thickness of the absorber and electron transport layer (ETL), as well as the acceptor and defect density of the absorber, and the acceptor density of the hole transport layer (HTL), were optimized sequentially. After the optimization, the best PCE of 28.03 % along with VOC, JSC, and FF of 1.11 V, 28.39 mA/cm2, and 89.01 % were found, correspondingly for the structure of FTO/SnS2/Cs2TiI6/MoTe2/Au. Additionally, the effects of temperature, series resistance, and shunt resistance were investigated with regard to the four most promising devices. The generation and recombination rates, together with the reported properties of current-voltage density (J-V) and quantum efficiency (QE), are also relevant to the first and last optimized devices in the four-device investigation.

Enhanced Efficiency of Thin‐Film Solar Cells via Cation‐Substituted Kesterite Absorber Layers and Nontoxic Buffers: A Numerical Study

Herein, the 1D Solar Cell Capacitance Simulator software is used to perform numerical analysis of thin‐film solar cells with Cu2ZnSnS4, Cu2BaSnS4, Cu2FeSnS4, and Cu2MnSnS4 absorber layers. The main goal is to investigate the impact of parameters, such as absorber layer thickness, acceptor density, buffer layer, bandgap, and donor density, on the efficiency of these solar cells. The absorber layer investigation entails varying the thickness and the acceptor density to evaluate their influence on the efficiency of the solar cell. A new zinc oxide sulfide (Zn(O,S)) buffer layer is also introduced instead of the conventional cadmium sulfide (CdS) buffer layer. The Zn(O,S) bandgap and its donor density, which are investigated in terms of how they affect the efficiency of the solar cells, have been varied. The optimal values for the thickness of the absorber layer, acceptor density, and the bandgap of the buffer layer are calculated. Subsequently, the donor density is evaluated to find any potential defects that may affect the efficiency of the solar cell. These results confirm that Zn(O,S) can be utilized as a buffer layer. This study concludes that Cu2ZnSnS4, Cu2BaSnS4, and Cu2MnSnS4 absorber layers have superior efficiency in comparison with Cu2FeSnS4.

Simulation of SnO2/Cs2AgInBr6/CuO heterojunction solar cell using AMPS-1D modeling

Using the one-dimensional computer code AMPS-1D MPS-1D (Analysis of Microelectronic and Photonic Structures), we simulated a lead-free double perovskite cell made of Cs2AgInBr6. This study examines the influence of the thickness and acceptor density of the active layer (Cs2AgInBr6) on key solar cell parameters, including short-circuit current density (JSC), efficiency (Eff), fill factor (FF), open-circuit voltage (VOC), current-voltage characteristics (J-V)). Our results suggest that an optimal active layer thickness of 500 nm yields good performance for the studied solar cell. Furthermore, the ideal acceptor density for enhancing output parameters is in the range of 10¹3-10¹⁵ cm⁻³. Post-optimization, our findings reveal a Voc of 0.969 V, a Jsc of 29.402 mA cm⁻², and an FF of 0.876, resulting in an efficiency of 24.959%. The results from AMPS-1D simulations for a Cs2AgInBr6 lead-free double perovskite solar cell suggest that this material and device structure can achieve high efficiency and good performance characteristics.

A comprehensive study on electron and hole transport layers for designing and optimizing the efficiency of MoSe2-Based solar cells using numerical simulation techniques

Researchers have recently shown a great deal of interest in molybdenum diselenide (MoSe2)-based solar cells due to their outstanding semiconducting characteristics. However, discrepancies in the band arrangement at the MoSe2/ETL (electron transport layer) and hole transport layer (HTL)/MoSe2 interfaces impede performances. In this research, a device combination with Ag/FTO/ETL/MoSe2/HTL/Ni is employed, where 7 HTLs and 3 different ETLs have been utilized to explore which device arrangement is superior. To achieve the most effective device arrangement, the effects of various device variables, such as thickness, donor density, acceptor density, defect density, temperature, series, and shunt resistance, are optimized. The computational evaluation under AM 1.5 light spectrums (100 mW/cm2) is performed using the SCAPS-1D simulator. When the several device parameters were optimized, the device that was correlated with Ag/FTO/SnS2/MoSe2/V2O5/Ni revealed the highest overall performances among the three different ETL (In2S3, SnS2, ZnSe)-based devices, with measuring a PCE of 34.07 %, a VOC of 0.918 V, a JSC of 42.565 mAcm−2, and an FF of 87.19 %. This recommended MoSe2-based solar cell exhibits outstanding efficiency in terms of maintenance and comparison to numerical thin film solar cells, highlighting MoSe2 as an attractive option for solar energy systems while eliminating toxicity challenges.

Exploring potential of lead-free KSn0.5Ge0.5I3 based perovskite solar cell: A combined first-principle DFT and SCAPS-1D study

Perovskite solar cells present a promising alternative to conventional silicon or lead-based solar cells, offering a synergistic blend of cost-effectiveness and potential for elevated power conversion efficiency. We investigated the potential of an innovative KSn0.5Ge0.5I3-based perovskite solar cell (PSC) using density functional theory (DFT) and SCAPS-1D simulation studies. Computational analysis via DFT probed the crystal structure, elastic, mechanical, and optoelectronic properties of KSn0.5Ge0.5I3. Tolerance factor computation (0.94) and negative formation energy (-3.16 eV) affirmed the thermodynamic stability of the orthorhombic phase in KSn0.5Ge0.5I3. Optical variables including refractive index, absorption coefficient, dielectric function, optical loss, and reflectivity, were computed to explore KSn0.5Ge0.5I3 viability in PV applications. Band structure analysis, density of states (DOS), and projected density of states (PDOS) have been used to determine the band gap (∼1.87 eV), effective masses, and mobility of e-/h+. We have conducted SCAPS-1D simulation for diverse PSCs configurations using various holes transport layers (HTLs) and electron transport layers (ETLs), identified IGZO (Eg = 3.05 eV) as a proficient ETL while CuSbS2 (Eg = 1.58 eV) as an effective HTL. A comprehensive investigation of parameters such as absorber layer thickness, shunt and series resistance, donor and acceptor density, absorber defect density, back contact metal, temperature, and interface characteristics was undertaken, and the impact on PV device performances was assessed through current-voltage (IV) and quantum efficiency (Q.E) characteristics curves. These findings underscore the potential of KSn0.5Ge0.5I3 as a promising material for PSCs, offering a sustainable and eco-friendly avenue for future renewable energy.

Improvement of linearity in trap-rich substrates for radio frequency applications: Which of donor and acceptor trap is the best?

This paper investigates the effect of volume traps intentionally introduced into a silicon-on-insulator (SOI) substrate by inserting a layer of polysilicon beneath buried oxide. In radio frequency applications, this type of substrate, referred to as trap-rich, is known to considerably reduce the generation of harmonics resulting from the parasitic non-linear charge dynamics introduced by the substrate handler under the buried oxide. This analysis focuses on a test vehicle in the form of an integrated coplanar waveguide on two types of substrates, namely, high-resistivity SOI substrates with and without a trap-rich layer. From a modeling point of view, a simulation methodology is implemented in order to convert the 3D simulation of the coplanar waveguide into a 2D treatment that takes into account the wave propagation effect associated with the distributed nature of the transmission line. As a first step, this modeling strategy is implemented to reproduce the effect of increasing substrate resistivity on 2nd and 3rd harmonic reductions, leading to an excellent agreement with experimental data. Building on this validation of the simulation method, we have opted to simulate the non-linear response of the transmission line on the SOI trap-rich substrate by simplifying the trap distribution model. To avoid the adoption of unverified and strongly process-dependent trap distributions across the bandgap, a midgap monovalent trap density has been introduced, either acceptor or donor density. A monovalent density of acceptor traps with a concentration of 1016 cm−3 and a carrier lifetime of 0.1 ns has been shown to reproduce the experimental data very accurately with a substantial reduction in 2nd and 3rd harmonics. A detailed analysis of the displacement current waveforms explains the beneficial role of acceptor traps compared with donor traps.

Performance optimization of lead-free potassium germanium halide based perovskite solar cells: A numerical study

Conventional lead-halide perovskite solar cells (PSCs) have great potential as top contenders for commercial utilization due to their impressive performance. Nevertheless, the stability issues and undue toxicity have limited their widespread use. Consequently, lead-free germanium-based PSCs have materialized as potential substitutes due to their high working efficiency and exceptional sustainability. The current study has examined various configurations of non-toxic inorganic potassium germanium trichloride (KGeCl3) based PSC structure by using different Hole Transport Layers (HTL) and Electron Transport Layers (ETLs) respectively. This work proposes an efficient Ge-based PSC (structure; FTO/MoO3/KGeCl3/WS2/Au), which has been optimized theoretically using SCAPS-1D. The influence of the material parameters, such as the thickness of the absorber layer (nm), donor density (Nd), acceptor density (Na), absorber defect density(Nt), interface layer defect density (IL1& IL2), series resistance (Rs) and shunt resistance (Rsh), and working temperature (K), has been optimized. The open circuit voltage (Voc), current density (Jsc), fill factor (FF), and power conversion efficiency (PCE) of KGeCl3-based PSC have all been commendably optimized. The results indicated WS2 as the most effective ETL for KGeCl3 with MoO3 as an HTL, yielding notable cell performance with Voc of 0.88 V, Jsc of 41.45 mA/cm2, FF of 81.76 %, and PCE of 29.83 %. The outcomes of this simulation study suggest the utilization of KGeCl3 as the absorber layer, in conjunction with WS2 and MoO3 as advanced ETL and HTL layers, which pays the way for continued development and optimization of Ge-based PSCs for potential applications.

Efficiency enhancement above 31 % of Sb2Se3 solar cells with optimizing various BSF layer

Recent advancements in solar technology have increased the acceptance of antimony selenide (Sb2Se3) due to its advantageous properties. This study aims to enhance the performance of the Sb2Se3 structure by using tungsten disulfide (WS2) as the window layer and copper zinc tin selenide (CZTSe) as the back surface field (BSF) layer, utilizing SCAPS-1D (solar cell and capacitance simulator). An initial investigation of seven potential BSF layers identified CZTSe as the best choice for improving power conversion efficiency (PCE). By carefully simulating various parameters, including the thicknesses of the absorber and window layers, donor and acceptor densities, defect density, shunt resistance, and series resistance, significant performance improvements were achieved. Without the BSF layer, the cell showed a PCE of 28.20 % along with specific values for short circuit current density (JSC), open-circuit voltage (VOC), and fill factor (FF). The addition of the BSF layer increased the PCE to 31.52 %, along with enhancements in JSC, VOC, and FF. These results highlight the potential of this approach for developing high-performance Sb2Se3 based solar cells, surpassing conventional designs.

CH3NH3SnI3${\mathrm{CH}}_{\mathrm{3}}{\mathrm{NH}}_{\mathrm{3}}{\mathrm{SnI}}_{\mathrm{3}}$: Superior Light Absorption and Optimized Device Architecture with 31.93% Efficiency

AbstractThis research investigates and optimizes the perovskite solar cells. Initially, optoelectronic parameters of perovskite absorber materials, including , , and , are estimated using Density Functional Theory (DFT) principles implemented in the Quantum Espresso software. The absorption of light energy is examined, detailing electron transitions between the highest p energy states of halogens (I, Br, and Cl) in the VB and the lowest 5p energy states of tin in the CB. shows superior optical characteristics, surpassing and , and demonstrating more effective absorption within the visible spectrum than . Subsequently, a numerical analysis is conducted for a P–I–N configuration Fluorine doped Tin Oxide (FTO)////Anode using SCAPS‐1D software. The optimization process focuses on absorber thickness, defect density, acceptor density, and the work function (WF) of the anode materials. Simulation findings recommend a defect density () of for optimal performance, coupled with an absorber thickness of 1 µm. Examining the transformation from to through oxidation reveals that reducing the concentration of acceptors in the absorber layer (NA) significantly enhances device performance. Superior performance is achieved by a high WF anode material. This study not only contributes to advancing our understanding of lead‐free perovskite optoelectronics but also provides valuable insights for the development of highly efficient and stable solar cells.