Simulation Of Perovskite Solar Cells Research Articles

Design of optimized photonic-structure and analysis of adding a SiO2 layer on the parallel CH3NH3PbI3/CH3NH3SnI3 perovskite solar cells

So far, remarkable achievements have been obtained by optimizing the device architecture and modeling of solar cells is a precious and very effective way to comprehend a better description of the physical mechanisms in solar cells. As a result, this study has inspected two-dimensional simulation of perovskite solar cells (PSCs) to achieve a precise model. The solution which has been employed is based on the finite element method (FEM). First, the periodically light trapping (LT) structure has been replaced with a planar structure. Due to that, the power conversion efficiency (PCE) of PSC was obtained at 14.85%. Then, the effect of adding an SiO2 layer to the LT structure as an anti-reflector layer was investigated. Moreover, increasing the PCE of these types of solar cells, a new structure including a layer of CH3NH3SnI3 as an absorber layer was added to the structure of PSCs in this study, which resulted in 25.63 mA/cm2 short circuit current (Jsc), 0.96 V open circuit voltage (Voc), and 20.48% PCE.

A Review of the Technological Advances in the Design of Highly Efficient Perovskite Solar Cells

The search for renewable and sustainable energy for energy security and better environmental protection against hazardous emissions from petro-based fuels has gained significant momentum in the last decade. Towards this end, energy from the sun has proven to be reliable and inexhaustible. Therefore, better light harvesting technologies have to be sought. Herein, the current trends in the development of perovskite solar cells with a focus on device engineering, band alignment, device fabrication with superior light harvesting properties, and numerical simulation of solar cell architectures are critically reviewed. This work will form the basis for future scientist to have a better scientific background on the design of highly efficient solar cell devices, which are cost-effective to fabricate, highly stable, and eco-friendly. This review presents thorough essential information on perovskite solar cell technology and tracks methodically their technological performance overtime. The photovoltaic (PV) technology can help to reduce pollution related to greenhouse gas emissions, criterion pollutant emissions, and emissions from heavy metals and radioactive species by nearly 90%. Following the introduction of highly efficient perovskite solar cell (PSC) technologies, the problems associated with stability, short life-time and lead-based perovskite solar cell configurations have significantly been minimized. The fabrication and simulation of perovskite solar cells has been made possible with advanced technologies and state-of-the-art computational codes. Furthermore, device simulation strategies have lately been used to understand, select appropriate materials, and gain insights into solar cell devices’ physical behavior in order to improve their performances. Numerical simulation softwares such as the 1-dimenional solar cell capacitance simulator (SCAPS-1D), Silvaco ATLAS, and wx-analysis of microelectronic and photonic structures (wxAMPS) used to understand the device engineering of solar cells are critically discussed. Because of the need to produce charge collection selectivity, hole transport materials (HTMs) as well as electron transport materials (ETMs) constitute essential PSC components. In this work, the synthesis of inorganic HTMs, as well as their characteristics and uses in various PSCs comprising mesoporous and planar designs, are explored in detail. It is anticipated that the performance of inorganic HTLs on PSCs would encourage further research which will have a significant influence on the future designs and fabrication of highly efficient solar cells.

Optimization of ITO/SnO2/FASnI3/PCBM/Ag based perovskite solar cell

In the present work, a numerical simulation of perovskite solar cell: ITO/SnO2/FASnI3/PCBM/Ag is carried out by using one dimensional simulation software i.e., SCAPS-1D. The variation of device performance with absorber thickness is evaluated. Solar cells cannot be made entirely from pure materials. Impurities that serve as trapping centres must be present. A detailed study is conducted to analyse the impact of absorber defect density on performance parameters, and the results indicate that as defects rise, device performance decreases. The cell performance is influenced by the operating temperature. The best power conversion efficiency after optimization is 24.54% (Voc = 0.97 V, Jsc = 29.88 mA/cm2 and FF = 84.39. The current investigation shows a considerable possibility for producing a lead-free device with good efficiency.

High Efficiency of Tandem Perovskite Solar Cells: Optical-Electrical-Thermal Simulation

The SCAPS-1D simulation tool was employed to conduct photoelectric simulation of perovskite solar cells in this paper. To begin with, a MAPbI3/MASnI3 layer was used as the perovskite absorption layer to investigate the performance of tandem perovskite solar cells. The influence of defect density and the work function of the front electrode on the device performance were studied. Additionally, the impact of temperature variations on device performance was studied. The results indicate that the MAPbI3/MASnI3 tandem perovskite solar cells achieve higher efficiency (30.05%) than the single-junction perovskite solar cells. Moreover, low defect density and temperature were found to be beneficial for higher performance. The heat distribution inside the device was studied using the finite element method. Furthermore, the influence of different hole transport materials and electron transport materials on the performance of perovskite solar cells with the hybrid perovskite layer (MAPbI3/MASnI3) was investigated and find out the appropriate transport layer materials. This research provides a reference for the perovskite solar cells.

The modelling and simulation of perovskite solar cell consisting textile-based electrodes

Perovskite solar cell (PSC) consisting textile-based electrodes has been created novel features for future energy supply. Recently, Cs0.05(FA0.85MA0.15)0.95Pb(I0.85Br0.15)3 perovskite has appeared as a favourable candidate for flexible perovskite solar cells. However, a confined performance was acquired when the conventional Spiro-OMeTAD were used as hole transport layer (HTL) material because of suboptimal valance band offset (ΔEV) between Perovskite/HTL layers. In this study, a theoretical drift–diffusion​ modelling is used by finite volume method (FVM) to investigate performance of textile perovskite solar cell with double hole transport layers (HTLs) with graded band gap energies. Copper thiocyanate (CuSCN) and Nickel Oxide (NiO) are replaced as double HTLs, which dramatically enhanced the performance due to optimal upward step by step valance band offsets (ΔEV) between Perovskite/Textile Composite Electrode layers. It is shown that the decreasing of the metal–semiconductor schottky barrier height of electrodes leads to significant increase in fill factor (FF). Also, it is revealed that the enriching of perovskite carrier diffusion length by equipoising of carrier capture cross section, carrier total defect density and carrier thermal velocity substantially promote the overall device efficiency. The short-circuit current (Jsc) of 20.65 mA/cm 2, open-circuit voltage (Voc) of 1.19 V, fill factor (FF) of 73.57%, and power conversion efficiency (PCE) of 18.20% have been obtained by optimization of electrodes properties and perovskite layers. Remarkably, the advantageous of low cost, flexible, and chemical stable conducive textile composite, extends new opportunities in the commercial expansion of highly efficient photovoltaic textile in optoelectronic industry field.

Optimization of Photovoltaic Performance of Pb-Free Perovskite Solar Cells via Numerical Simulation

Recently, the simulation of perovskite solar cells (PSCs) via SCAPS-1D has been widely reported. In this study, we adopted SCAPS-1D as a simulation tool for the numerical simulation of lead-free (Pb-free) PSCs. We used methyl ammonium germanium iodide (MAGeI3) as a light absorber, zinc oxysulphide (ZnOS) as an electron transport layer (ETL), and spiro-OMeTAD as a hole transport layer. Further, the thickness of the ZnOS, MAGeI3, and spiro-OMeTAD layers was optimized. The optimal thicknesses of the ZnOS, MAGeI3, and spiro-OMeTAD layers were found to be 100 nm, 550 nm, and 100 nm, respectively. The optimized MAGeI3-based PSCs exhibited excellent power conversion efficiency (PCE) of 21.62%, fill factor (FF) of 84.05%, and Jsc of 14.51 mA/cm2. A fantastic open circuit voltage of 1.77 V was also obtained using SCAPS-1D. We believe that these theoretically optimized parameters and conditions may help improve the experimental efficiency of MAGeI3-based PSCs in the future.

Gradient doping simulation of perovskite solar cells with CH3NH3Sn1−xPbxI3 as the absorber layer

In this study, we built a perovskite solar cells(PSCs) model with a Au/CuSCN/CH3NH3Sn1−xPbxI3/TiO2/FTO glass structure using the SCAPS program and use polynomial fitting to obtain the relationship between the conduction/valence bands of CH3NH3Sn1−xPbxI3 and the x value, which is more complex and accurate than that in any previous research. The influences of thickness, electron and hole mobilities, relative permittivity, effective conduction band density, effective valence band density, and the value of x on the solar cell performance are analyzed. Furthermore, we simulate the situation where the doping concentration changes with the absorption layer depth of the device and a special bandgap is formed. The power conversion efficiency of the device improves from 19.96% to 20.52%, with an open-circuit voltage of 0.776 V, a short-circuit current of 33.79 mA/cm2, and a filling factor of 77.39% when double gradient doping is performed. The application value of gradient doping in the device absorption layer is obtained.

Simulation of perovskite solar cells using molybdenum oxide thin films as interfacial layer for enhancing device performance

Organic-inorganic hybrid perovskite solar cells (PSCs) have the issue of interdiffusion at the interfaces that causes undesirable phenomena affecting device efficiency and stability. In this paper, we have investigated MoOx thin films as interlayer between the hole transport material and gold electrode and develop a model using the SCAPS solar cell simulator as a function of the interlayer film thickness to enhance device efficiency and stability. First, different thicknesses (2, 5, 10, 50, and 100 nm) of MoOx films were deposited on glass substrate by electron beam evaporation (e-beam) and their physical, chemical, optical, and electronic properties for PSC were examined. In this research, uniform, homogeneous and pinhole free MoOx films with high transmittance (˃ 80%), very low surface roughness, and resistivity were obtained from the 5 and 10 nm thick samples. In addition, the 10 nm film has shown the lowest photoluminescence emission. Using SCAPS solar cell simulation software and including MoOx thin films as passivation layer, the performance of the PSCs for a Pb-based and Pb-free perovskite absorber were modelled. Results showed that the 10 nm MoOx film is found to provide the best benefit to the device performance with enhanced power conversion efficiency (PCE) of 16.9% and 12.4% for the lead-based MAPb(I1-xBrx)3 and lead-free (MASnI3) perovskite solar cells, respectively.

Simulation of Perovskite Solar Cells Optimized by the Inverse Planar Method in SILVACO: 3D Electrical and Optical Models

In recent years, perovskite solar cells (PSCs), often referred to as the third generation, have rapidly proliferated. Their most prominent deficiencies are their low efficiency and poor stability. To enhance their productivity, a combination of silicon and perovskite is employed. Here, we present a 3D simulation analysis of various electrical and optical properties of PSCs using the SILVACO simulation software. Using the inverted planar method with inorganic transport materials and the proper selection of anti-reflective coatings with a back contact layer increases the efficiency of PSCs to 28.064%, and enhances their stability without using silicone composites. Several materials, including CaF2, SiO2, and Al2O3, with various thicknesses have been employed to investigate the effect of anti-reflective coatings, and to improve the efficiency of the simulated PSC. The best thickness of the absorbent layer is 500 nm, using a CaF2 anti-reflective coating with an optimal thickness of 110 nm. A polymer composition of Spiro-OMeTAD and inorganic materials Cu2O and NiOx was used as the hole transport material (HTM) and inorganic ZnO was employed as the electron transport material (ETM) to optimize the solar cell efficiency, and an optimized thickness was considered for these materials. Yields of 29.261, 28.064 and 27.325% were obtained for Spiro-OMeTAD/ZnO, Cu2O/ZnO and NiOx/ZnO, respectively. Thus, Spiro-OMeTAD yields the highest efficiency. This material is highly expensive with a complex synthesis and high degradability. We proposed to employ Cu2O to alleviate these problems; however, this reduces the efficiency by 1.197%. As a graphene connector has high flexibility, reduces cell weight, and is cheaper and more accessible compared to other metals, it was regarded as an optimal alternative. The simulation results indicate that using the inverted planar method with inorganic transport materials for graphene-based PSCs is highly promising.

Numerical simulation of perovskite solar cell with different material as electron transport layer using SCAPS-1D Software

Perovskite solar cells have become a hot topic in the solar energy device area due to high efficiency and low cost photovoltaic technology. However, their function is limited by expensive hole transport material (HTM) and high temperature process electron transport material (ETM) layer is common device structure. Numerical simulation is a crucial technique in deeply understanding the operational mechanisms of solar cells and structure optimization for different devices. In this paper, device modelling for different perovskite solar cell has been performed for different ETM layer, namely: TiO2, ZnO, SnO2, PCBM (phenyl-C61-butyric acid methyl ester), CdZnS, C60, IGZO (indium gallium zinc oxide), WS2 and CdS and effect of band gap upon the power conversion efficiency of device as well as effect of absorber thickness have been examined. The SCAPS 1D (Solar Cell Capacitance Simulator) has been a tool used for numerical simulation of these devices.

Kinetic Monte Carlo Simulation of Perovskite Solar Cells to Probe Film Coverage and Thickness

Perovskite solar cells (PSCs) have received considerable attention in recent years due to their low processing cost and high‐power conversion efficiency. However, the mechanisms of PSCs are not fully understood. A model based on a probabilistic and statistical approach needs to be developed to simulate, optimize, and predict the photovoltaic (PV) performance of PSC. Herein, the 3D model based on the kinetic Monte Carlo (KMC) approach is developed to simulate 3D morphology of perovskite‐based solar cells and predict their PV performances and charge dynamics. The developed 3D model incorporates the temporal and physical behavior of perovskites, such as charge generation, transport, and recombination. The KMC simulation results show that pin holes‐free perovskite films with a homogenous 400 nm thick perovskite capping layer achieve the highest power conversion efficiency of 20.85%. However, the shortest apparent charge transport time (τt) and the longest apparent charge carrier recombination lifetime (τr) are found for the champion device. PV performance from the fabricated device is used to validate this simulation model. This model can provide a significant conceptual advance in identifying bottlenecks and guiding novel device designs to further improve the performance of perovskite PVs.

Simulation of perovskite solar cell employing ZnO as electron transport layer (ETL) for improved efficiency

Solar energy is quite a reliable and popular source of energy and the recent development in this field has provided a boost for further technological development. Perovskite solar cells (PSCs) research is increasing rapidly due to the fast improvement in their power conversion efficiencies (PCE), easy synthesis as it can be made of common metals, high open-circuit voltage, and cheapness. The presented model is also validated by comparing the obtained values to the existing paper. In this new structure, power conversion efficiency (PCE) is increased from 11.73% to 16.43%. For this purpose, we have used different layers like ITO (Indium Tin Oxide), ZnO (Zinc Oxide) as an electron transporting layer (ETL), CH3NH3PbI3 (Perovskite layer), poly (3,4-ethylene dioxythiophene) (PEDOT) as a Hole transporting layer (HTL) and Gold (Au) as a back contact. We have studied the impact of several factors that may affect the performance and efficiency of solar cells. We have increased efficiency by using ZnO as our Electron transport layer (ETL). The Silvaco Atlas program was used for simulation purposes. Through the device simulation we were able to calculate Current Density (Jsc), Open Circuit Voltage (Voc), Short Circuit Current, Fill Factor and Power. This work will also guide others to further work on the efficiency increment of perovskite solar cells and will also help in the enhancement of efficiencies of low-cost perovskite solar cells.

Design and simulation of perovskite solar cells based on graphene and TiO2/graphene nanocomposite as electron transport layer

In recent years, investigation on utilizing perovskite solar cells (PSCs) has become widespread and much researches have been conducted to increase the power conversion efficiency (PCE) and sustainability of this type of solar cell. In this research, the effects of graphene (Gr) and TiO2/Gr nanocomposite as the electron transport layer (ETL) on the absorption, carriers generation and recombination, carrier transport, short-circuit current density (Jsc), open-circuit voltage (Voc) and PCE are investigated. For this purpose, a three-dimensional (3D) finite element method (FEM) technique is utilized. Using the monolayer Gr ETL, the absorption in the active layer enhances and Jsc increases from 19.07 to 21.73 mA/cm2. Meanwhile, Voc decreases from 0.99 to 0.89 V because of the recombination at the interface of active layer and ETL. Utilizing TiO2/Gr nanocomposite as the ETL can improve carrier transport in this layer and increases Voc from 0.99 to 1.15 V whereas Jsc is reduced compared to the case when TiO2 was placed as the ETL. This reduction is attributed to the delivery of less light to the active layer. In the optimal case (TiO2/Gr(10%) nanocomposite), the PCE is 17.01. To further improve cell efficiency, the three HTLs CuSCN, Cu2O and NiO were placed in the cell structure and compared with each other, which the PCE of PSC yields were 17.01%, 17.81% and 17.94%, respectively. This means that the PCE has been increased by about 24%.

Device simulation of perovskite solar cells with molybdenum disulfide as active buffer layer

Organo-halide Perovskite Solar Cells (PSC) have been reported to achieve remarkably high power conversion efficiency (PCE). A thorough understanding of the role of each component in solar cells and their effect as a whole is still required for further improvement in PCE. In this paper, the effect of Molybdenum Disulfide (MoS2) in PSC with mesoporous structure configuration was analyzed using Solar Cell Capacitance Simulator (SCAPS). With the MoS2 layer which having two-fold function, acting as a protective layer, by preventing the formation of shunt contacts between perovskite and Au electrode, and as a hole transport material (HTM) from the perovskite to the Spiro-OMETAD. As simulated, PSC demonstrates a PCE, ŋ of 13.1%, along with stability compared to typical structure of PSC without MoS2 (Δ ŋ/ŋ=-9% vs. Δ ŋ/ŋ=-6%). The results pave the way towards the implementation of MoS2 as a material able to boost shelf life which very useful for new material choice and optimization of HTMs.

A comprehensive simulation study of hybrid halide perovskite solar cell with copper oxide as HTM

Perovskite solar cells (PSCs) have attracted considerable attention as a competitor technology in solar cells due to the rapid enhancement in their power conversion efficiency (PCE) in recent years. PSCs have several advantages such as their bandgap tunability, lower cost, tolerance of high impurities, protracted diffusion length and wide optical absorption. In this paper, simulation of PSCs with copper oxide as a hole transport material (HTM) and different electron transport materials (ETMs) has been presented. The proposed materials are a replacement to the ordinary hole and ETMs; such as the titanium dioxide and the expensive spiro-OMeTAD. In addition, a comprehensive study for optimizing the features and parameters of the PSCs, such as the thickness and defect density of the perovskite layer, the doping concentrations, and the bandgap energy, has been introduced. The simulation and the performance evaluation of the designed PSCs have been carried out using SCAPS-1D. The results show that mixed halide PSC with zinc oxysulfide as ETM and copper oxide as HTM has an enhanced performance with a PCE of up to 30.82%.

Design and simulation of perovskite solar cells with Gaussian structured gradient-index optics.

To unlock the full potential of the perovskite solar cell (PSC) photocurrent density and power conversion efficiency, the topic of optical management and design optimization is of absolute importance. Here, we propose a gradient-index optical design of the PSC based on a Gaussian-type front-side glass structure. Numerical simulations clarify a broadband light-harvesting response of the new design, showing that a maximal photocurrent density of 23.35 mA/cm2 may be expected, which is an increase by 1.21 mA/cm2 compared with that of the traditional flat-glass counterpart (22.14 mA/cm2). Comprehensive analysis of the electric field distributions elucidates the light-trapping mechanism. Furthermore, PSCs having the Gaussian index profile display superior optical properties and performance compared to those of the uniform index counterpart under varying conditions of perovskite layer thicknesses and incident angles. The simulation results in this study provide an effective design scheme to promote optical absorption in PSCs.

Simulation of perovskite solar cells by using CuSCN as an inorganic hole-transport material

The performance of planar heterojunction-based perovskite solar cells was studied using SCAPS software (i.e. a program serving as a solar cell capacitance simulator). An inorganic hole-transport material (HTM) and an inorganic electron-transport material (ETM) were used to reduce both cost and degradation of perovskite solar cells. This study aims at the effect of the thickness and defect density of perovskite layers, hole mobility of HTM, and valance band alignment mismatch at the HTM/absorber interface on the photovoltaic parameters of perovskite solar cells. Since the work function of carbon (−5 ev) is close to that of gold (−5.1 ev), carbon was used as a low-cost back contact instead of gold (Au) as an expensive back contact. Generally, an increase in the thickness of MAPbI3 perovskite up to 800 (nm) raises the power conversion efficiency (PCE) of solar cells. On the other hand, the increase of the defect density of perovskite decreases the performance of solar cells. Furthermore, an increase in the hole mobility of the hole transport material promotes the efficiency of the device. Finally, the results show that the power conversion efficiency (PCE) of solar cells containing ZnO (ETM), CH3NH3PbI3 (perovskite active layer), CuSCN (HTM) and carbon as a cathode exceeds 24%.

Consistent Device Simulation Model Describing Perovskite Solar Cells in Steady-State, Transient, and Frequency Domain.

A variety of experiments on vacuum-deposited methylammonium lead iodide perovskite solar cells are presented, including JV curves with different scan rates, light intensity-dependent open-circuit voltage, impedance spectra, intensity-modulated photocurrent spectra, transient photocurrents, and transient voltage step responses. All these experimental data sets are successfully reproduced by a charge drift-diffusion simulation model incorporating mobile ions and charge traps using a single set of parameters. While previous modeling studies focused on a single experimental technique, we combine steady-state, transient, and frequency-domain simulations and measurements. Our study is an important step toward quantitative simulation of perovskite solar cells, leading to a deeper understanding of the physical effects in these materials. The analysis of the transient current upon voltage turn-on in the dark reveals that the charge injection properties of the interfaces are triggered by the accumulation of mobile ionic defects. We show that the current rise of voltage step experiments allow for conclusions about the recombination at the interface. Whether one or two mobile ionic species are used in the model has only a minor influence on the observed effects. A delayed current rise observed upon reversing the bias from +3 to -3 V in the dark cannot be reproduced yet by our drift-diffusion model. We speculate that a reversible chemical reaction of mobile ions with the contact material may be the cause of this effect, thus requiring a future model extension. A parameter variation is performed in order to understand the performance-limiting factors of the device under investigation.

Finite element simulation of perovskite solar cell: A study on efficiency improvement based on structural and material modification

In this paper, a 3D finite element method (FEM) technique is exploited to simulate a planar perovskite solar cell. To fully characterize the proposed device, combined optical-electrical modeling method is used. The presented model is validated through comparisons with experimental work. A new structure is introduced which includes a layer of CH3NH3SnI3 as a second absorber layer in the perovskite solar cell (PSC) structure based on CH3NH3PbI3. In this new structure, power conversion efficiency (PCE) is increased from 14.32% to 15.32% when the thickness of CH3NH3SnI3 is 200 nm. The short circuit current (Jsc) is improved by coating 40 nm MgF2 layer which act as an anti reflector layer on the surface of the presented PSC. The influence of periodically corrugated back and anti reflector on the presented PSC is considered. As a result of replacing a flat back and anti reflector layer with periodically corrugated back and anti reflector layer, respectively, the PCE of this new proposed PSC structure with two active layers reaches 17.5%.

Simulation of optimum band structure of HTM-free perovskite solar cells based on ZnO electron transporting layer

Expensive gold electrode and hole transporting material (HTM) currently used in perovskite solar cells are the major economic constraints to the scaling-up of this promising technology. Designing high-efficiency perovskite solar cell with graded band-gap structure to replace HTM and with low-cost electrode is urgently needed for real cell production. In our work numerical simulation of perovskite solar cell with the configuration of FTO/ZnO/CH3NH3Pb(I1-xBrx)3/Carbon is performed using SCAPS-1D program. The band gap of CH3NH3Pb(I1-xBrx)3 absorber is tuned in the range of 1.5 eV to 2.3 eV by variation of the Br doping content. Both the uniform band gap and graded band gap absorber were examined. Based upon the simulated results, a promising efficiency of 17.89% can be realized with a back grading profile that consists of a graded thickness of 50 nm as well as 1.9 eV band gap at back surface. This work will provide guidelines for further efficiency enhancement of low cost perovskite solar cells.