A Numerical Approach to Analysis of an Environment-Friendly Sn-Based Perovskite Solar Cell with SnO<sub>2</sub> Buffer Layer Using SCAPS-1D

Biswas, Sunirmal Kumar; Sumon, Md. Shamsujjoha; Sarker, Kushal; Orthe, Mst. Farzana; Ahmed, Md. Mostak

doi:https://doi.org/10.1155/2023/4154962

Advances in Materials Science and Engineering

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Abstract Introduction Numerical Simulation Results Conclusions Data Availability Conflicts of Interest Acknowledgments References Copyright Related Articles

Research Article | Open Access

Volume 2023 | Article ID 4154962 | https://doi.org/10.1155/2023/4154962

A Numerical Approach to Analysis of an Environment-Friendly Sn-Based Perovskite Solar Cell with SnO₂ Buffer Layer Using SCAPS-1D

Sunirmal Kumar Biswas,¹Md. Shamsujjoha Sumon,¹Kushal Sarker,¹Mst. Farzana Orthe,¹and Md. Mostak Ahmed¹

Academic Editor: Ivan Giorgio

Received15 May 2023

Revised05 Jun 2023

Accepted08 Jun 2023

Published16 Jun 2023

Abstract

In this research, we have proposed a Sn-based perovskite solar cell using solar cell capacitance software. The main aim of this study is to develop an environment-friendly and highly efficient structure that can be used as an alternative to other toxic lead-based perovskite solar cells. This work performed a numerical analysis for the proposed (Al/ZnO/SnO₂/CH₃NH₃SnI₃/Ni) device structure. The absorber layer CH₃NH₃SnI₃, buffer layer SnO₂, and electron transport layer (ETL) ZnO, with aluminium as the front contact and nickel as the back contact, have been used in this simulation. Several analyses have been conducted for the proposed structure, such as the impact of the absorber layer thickness, acceptor density, defect density, series and shunt resistances, back contact work function, and operating temperature. The device simulation revealed that the optimum thickness of the absorber layer is 1.5 μm and 0.05 μm for the buffer layer. The proposed Sn-based perovskite structure has obtained a conversion efficiency of 28.19% along with FF of 84.63%, Jsc of 34.634 mA/cm², and Voc of 0.961 V. This study shows the upcoming lead-free perovskite solar cell’s enormous potential.

1. Introduction

Energy usage is expected to increase significantly in the future. Most energy utilized today comes from fossil fuels, which have a large carbon footprint and will decay quickly. As a result of industrialization and population increase, energy prices are growing. The most challenging task is developing a renewable energy source because there is a huge demand for green energy. Solar energy is a promising future technology since it is clean and good for the environment [1, 2]. There are many different types of solar cells, including amorphous silicon, cadmium telluride, copper indium gallium selenide, dye-sensitized, hybrid, monocrystalline, nanocrystal, and perovskite solar cells [3]. Third-generation (emerging technology) perovskite solar cell is the one that was chosen. The light-harvesting active layer of a perovskite solar cell is made of a material with a perovskite structure; generally, this material is a hybrid organic-inorganic lead- or tin-based compound [4, 5]. CH₃NH₃PbI₃ is the most popular perovskite absorber and has an optical band gap that varies from 1.6 eV to 2.3 eV [6–12]. Lead perovskite halide shows the highest solar energy conversion efficiency at 23%. It however suffers from toxicity issues. Lead-free perovskites have been shown as a viable candidate for potential use as light harvesters to ensure renewable PV technologies, where the lead can be replaced with Sn, Ge, Bi, Sb, and Cu. The candidates reported efficiencies of up to 9%; however, their efficiency and stability in the air are still urgently needed to be enhanced [13].

To date, researchers have made efforts in contributing to the development of perovskite semiconducting materials which have led to the rise of low cost and high efficiency concerning the simulation of the solar cell capacitance simulator-one dimension (SCAPS).

In this case study, we introduce a Sn-based perovskite structure that has high efficiency compared to previously submitted cells and is ecofriendly. Currently, tin-based PSCs demonstrate a maximum PCE over 13% together with excellent device stability, making them a very attractive photovoltaic technology to be further developed in the near future [14]. Since tin-based perovskite solar cells are affected by the oxidation process they tend not to be stable in the surrounding atmosphere. Hence, the measured efficiency of the perovskite solar cells decreases drastically with time. Researchers attempted to solve this issue by adding SnF₂ to the perovskite structure. Several studies have been conducted in recent years, both simulation and experimental, with CH₃NH₃SnI₃-based solar cells. A simulated research work published in 2021 achieved a J_SC of 31.66 mA/cm², V_OC of 0.96 V, FF of 67%, and a conversion efficiency of 20.28% [15]. Then, another work published in 2016 has a J_SC of 31.59 mA/cm², V_OC of 0.92 V, FF of 79.99%, and conversion efficiency of 23.36% [16]. In 2019, the work had a conversion efficiency of 23.76% [17]. For the proposed (Zn₂SnO₄/CH₃NH₃SnI₃/Spiro-MeOTAD) structure, the obtained conversion efficiency in 2021 is 24.73% [18]. In 2017, it had a conversion efficiency of 24.82%, J_SC of 25.67 mA/cm², FF of 78.14% and V_OC of 1.0413 V [19]. The conversion efficiency of 26.33%, along with the V_OC of 0.98 V, J_SC of 31.93 mA/cm², and FF of 84.34%, have been reported for 2021 [20]. In 2021, another study obtained a conversion efficiency of 26.92% V_OC of 0.99 V, J_SC of 36.81 mA/cm², and FF of 73.80% [21]. In experimental works, two structures have been mentioned that obtained conversion efficiency of 17.1 and 15.1%. The structures are ITO/PEDOT: PSS/CH₃NH₃SnI₃/C₆₀/BCP/Ag and FTO/TiO₂/Perovskite/SpiroMeOTAD/Ag [22, 23]. After studying several valuable works, a novel structure (Al/ZnO/SnO₂/CH₃NH₃SnI₃/Ni) has been proposed in this research.

In this study, SnO₂: F (fluorine-doped tin oxide) is used as a buffer layer because of the high transparency of the tin oxide semiconductor. F-doped SnO₂ is the least expensive transparent conductive oxide material with the highest work function, the best contact with p-Si, thermal stability, chemical durability, a wide band gap, and negligible toxicity [24]. Due to its high conductivity, electron mobility, photocorrosion resistance, and low cost, zinc oxide (ZnO) has been recognized as a helpful electron transport material for solar cell applications [25].

The Sn-based perovskite solar cell is an HTL-free perovskite solar cell. HTL-free devices can greatly save the cost of materials. On the other hand, devices based on HTL-free configurations can reduce the fabrication cost, interface defects without affecting cell performance, and the complexity of processing because fewer layers are used [14].

2. Device Architecture and Numerical Simulation

The proposed Sn bead solar cell structure, which has the composition Al/ZnO/SnO₂/CH₃NH₃SnI₃/Ni, is shown schematically in Figure 1. Figure 1 shows that Ni was used as the back contact, CH₃NH₃SnI₃ was used as the absorber layer, SnO₂ was chosen as the buffer layer, and ZnO was used as the ETL for this perovskite solar cell.

Researchers from the University of Gent’s Electronics and Information Systems (ELIS) Department created the numerical simulation tool known as SCAPS [26]. SCAPS-1D uses two essential semiconductor equations: the continuity equation for electrons and holes under steady-state circumstances and the Poisson equations (27)–(34). Poisson’s and continuity equations are applied to free electrons and holes in the conduction and valence bands.

The following are the continuity equations for electrons and holes:where J_n and J_p represent electron and hole current densities, R represents the recombination rate, and G represents the generation rate. The Poisson equation is as follows:where is the electrostatic potential, e is the electrical charge, is the relative permittivity, is the vacuum permittivity, p and n are the hole and electron concentrations, N_D is the donor type, N_A is the acceptor type charged impurities, and ρ_p and ρ_n are the hole and electron distributions, respectively [19, 35]. The physical parameters needed for the simulation are shown in Table 1.

3. Results and Discussions

3.1. J–V and Q–E Curve of Sn-Based Perovskite Solar Cell

Figure 2 shows the designed solar cell’s J–V characteristics and different absorber thicknesses. The absorber layer thickness varied from 0.1 μm to 3.0 μm, respectively. Current and voltage rise with increasing absorber thickness, as shown by the J–V curve in Figure 2. Improved current and voltage result from adding the electron-hole pair while thickening the absorber.

Figure 3 shows the wavelength versus quantum efficiency. Quantum efficiency is defined as the ability of a solar cell to absorb carriers from incident photons of a specific energy. As can be seen, the thinner the absorber, the fewer photons at longer wavelengths are absorbed. This is because photons form fewer electron-hole pairs inside the absorber layer [20]. With a thick absorber layer, solar cells operate more efficiently because the likelihood of back recombination is reduced, which enhances the quantum efficiency [38]. Moreover, light is not absorbed below band gaps for longer low-energy wavelengths, resulting in a quantum efficiency of zero for wavelengths greater than 950 nm. The light-absorbing layer’s thickness considerably influences perovskite solar cell performance [16, 39–41].

To evaluate the effectiveness of the suggested CH₃NH₃SnI₃-based perovskite solar cell, the absorber’s thickness is changed from 0.5 to 3.0 μm. As the absorber layer thickness increased, all solar cell output metrics significantly increased, as shown in Figure 4. The value of V_OC rose from 0.920 to 0.982 V, J_SC 32.150 to 35.123 mA/cm², FF 80.76 to 86.02%, and efficiency from 23.89 to 29.68% likewise increased while varying the absorber thickness from 0.5 to 3.0 μm.

It is proposed that the photogenerated electrons and holes will be significantly boosted at thicker absorber layers, improving the overall performance of the solar cell. As a result, considering the device manufacturing cost, the CH₃NH₃SnI₃ absorber thickness is set at 1.5 μm in this study, which is chosen as the best thickness for further research.

3.2. Impact of Acceptor Density and Defect Density of the Absorber Layer

Figure 5 displays the solar cell output parameters V_OC, J_SC, FF, and efficiency. In this study, we discovered that as acceptor density increased, so did the V_OC, FF, and efficiency. When the acceptor density is increased, the J_SC decreases. The acceptor density has been changed from 10¹¹ to 10¹⁷ cm⁻³. The V_OC varies from 0.913 to 1.081 V, J_SC 35.178 to 31.559 mA/cm², FF 84.41 to 86.66%, and efficiency 27.12 to 29.58%, while the acceptor densities have changed from 10¹¹ to 10¹⁷ cm⁻³, respectively. The absorber layer acceptor density influences the performance of photovoltaic systems. This computational study looks at how the proposed CH₃NH₃SnI₃-based perovskite solar cell reacts to absorber layer acceptor density changes.

The defect density in the absorber significantly impacts the performance of photovoltaic systems. Another critical factor that might affect the device’s performance is the active layer’s total defect density. Figure 6 illustrates the numerical study’s investigation of the proposed Sn-based perovskite solar cell reaction to changing defect densities in the absorber layer related to the intended perovskite solar cell V_OC, J_SC, FF, and efficiency values. The absorber layer’s defect density varied from 10¹⁴ to 10¹⁸ cm⁻³. The V_OC decreased from 0.957 to 0.625 V, J_SC 34.604 to 10.863 mA/cm², FF 83.88 to 39.96%, and efficiency 27.79 to 2.71% when defect density varied from 10¹⁴ to 10¹⁸ cm⁻³. More significant pinhole production and recombination due to increased film deterioration decreased stability and reduced device performance are all effects of higher defect concentrations in the absorber layer [42]. We conclude that an increase in defects results in a reduction in the charge carriers’ diffusion length and an increase in recombination carriers in the absorber layer, which directly impacts efficiency [43].

3.3. Impact of Series (R_S) and Shunt (R_Sh) Resistances

The performance of Sn-based perovskite solar cell structures is significantly influenced by series (R_S) and shunt (R_Sh) resistances. The resistance R_S between various terminals on the front and back contacts of the cell is the sum of these resistances. The series resistance (R_Sh) is produced by the active junction’s reverse saturation current caused by manufacturing faults. Using the SCAPS-1D simulator, the impact of R_S and R_Sh on solar cell performance, such as V_OC, J_SC, FF, and efficiency, has been assessed as a function of R_S, as shown in Figure 7. The performance is examined by changing R_S between 0 and 5 Ω-cm² while R_Sh is constant at 10⁵ Ω-cm².

Figure 7 demonstrates that the efficiency and FF dramatically dropped when the R_S increased. When R_S was increased from 0 to 5 Ω-cm², the efficiency decreased from 28.18 to 22.93% and the FF from 84.60 to 68.97%. The results achieved in this simulation are identical to prior research conclusions [44, 45]. At the same time, J_SC and V_OC are almost constant, as shown in Figure 7. J_SC obtained 34.63 to 34.55 mA/cm², V_OC increased 0.961 to 0.962 V while R_S varied from 0 to 5 Ω-cm². Figure 8 shows the output parameters as a function of R_Sh for the proposed perovskite solar cell. With R_Sh being changed from 10¹ to Ω-cm² and R_S remaining constant at 0.5 Ω-cm², the impact of R_Sh is examined. The V_OC increases from 0.344 to 0.961 V, J_SC 32.978 to 34.627 mA/cm², FF 25.01 to 83.02%, and efficiency 2.84 to 27.65% along with the increase of R_Sh.

3.4. Impact of back Contact Work Function and Operating Temperature

To generate a moderate built-in potential there, a material with a suitable work function at the back contact properties of the recommended cell is investigated, as illustrated in Figure 9. The back contact work function varied from 4.4 to 5.4 eV. Figure 9 shows that V_OC, FF, J_SC, and efficiency rise as the work function is raised. The V_OC is increased by 0.143 to 0.966 V, J_SC 33.455 to 34.728 mA/cm², FF 54.55 to 84.89%, and efficiency 2.61 to 28.48%. The performance of solar cells is observed to be significantly impacted by the back contact work function. According to the current modelling findings, a work function more significant than 5.1 eV is required for adequate PV performance. Because of its reasonable cost and essential work function, nickel (Ni = 5.35 eV) has been utilized as the back contact in this numerical study to achieve the high performance of a CH₃NH₃SnI₃-based solar cell [46].

The device simulations were conducted at an operating temperature of 300 K. Under steady light of 1000 Wm⁻², the device’s operating temperature was changed from 295 to 425 K to examine the effects of temperature on perovskite solar cells. Figure 10 shows the device parameters as a function of temperature. Figure 10 shows that the output parameters of V_OC, FF, and efficiency are decreasing, and J_SC is almost stable in this investigation. For perovskite solar cells, working temperature is an important consideration. Mainly, there is a high correlation between operating temperature and metrics like J_SC and V_OC [47]. The V_OC is obtained at 0.968 to 0.770 V, J_SC 34.633 to 34.705 mA/cm², FF 84.71 to 79.19%, and efficiency 28.42 to 21.18%, while the temperature of the proposed structure has varied from 295 to 425 K. The V_OC decreases due to a rise in device temperature, which also causes exponential growth in the reverse saturation current [48]. Because there are fewer free carriers in the cell due to the increase in the recombination rate of photogenerated carriers, such as electrons and holes, the performance of the cell as a whole decrease at higher temperatures [49].

4. Conclusions

In this study, Sn-based perovskite solar cell structure (Al/ZnO/SnO₂/CH₃NH₃SnI₃/Ni) has been investigated and simulated using SCAPS-1D software. The absorber layer thickness varied from 0.5 to 3.0 μm, acceptor density 10¹¹ to 10¹⁷ cm⁻³, defect density 10¹⁴ to 10¹⁸ cm⁻³, series (R_S) 0 to 5 Ω-cm² and shunt (R_Sh) 10¹ to 10⁶ Ω-cm², back contact work function 4.4 to 5.4 eV, and the operating temperature 295 to 425 K as shown on the output parameters of the solar cell. The optimum thickness of the absorber layer is 1.5 μm and 0.05 μm for the buffer layer. The proposed Sn-based perovskite solar cell structure has obtained a conversion efficiency of 28.19% along with FF of 84.63%, J_SC of 34.634 mA/cm², and V_OC of 0.961 V. Moreover, the conversion efficiency decreases with an increase in operating temperature. Due to the absence of harmful components, this structure is also excellent for the environment. So, we hope it will be an efficient and ecofriendly perovskite solar cell for fulfilling the upcoming generation’s demands.

Data Availability

The data supporting the investigation’s results are available upon reasonable request from the relevant author.

Conflicts of Interest

The authors state that they have no conflicts of interest.

Acknowledgments

The authors would like to express their gratitude to Dr. Marc Burgelman and his colleagues at the Department of Electronics and Information Systems (ELIS), University of Gent, Belgium, for making the SCAPS simulation software available.

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Copyright © 2023 Sunirmal Kumar Biswas et al. This is an open access article distributed under the Creative Commons Attribution License, which permits unrestricted use, distribution, and reproduction in any medium, provided the original work is properly cited.

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