Numerical simulation of solar cell performance with copper-based layered perovskite using SCAPS-1D software

IF 1.9 4区材料科学 Q3 MATERIALS SCIENCE, MULTIDISCIPLINARY

Modelling and Simulation in Materials Science and Engineering Pub Date : 2023-12-15 DOI:10.1088/1361-651x/ad104e

Aparna Thankappan

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引用次数: 0

Abstract

Perovskite solar cells (PSCs) have garnered extensive research interest due to their potential for efficient, flexible, and cost-effective solar energy production, making them suitable for wearable and low-cost applications. In this study, we successfully synthesized layered copper-based perovskite materials, and subsequently conducted simulations using the Solar Cell Capacitance Simulator SCAPS-1D. This study introduces, a PSC structure with (CH₃NH₃)₂CuCl₄ as the active layer. By employing a two-step chemical method, we have successfully synthesized (CH₃NH₃)₂CuCl₄, and its optical band gap was determined using Tauc’s extrapolation method. Utilizing the experimentally determined bandgap as the simulation input, we predicted a solar architecture consisting of glass substrate/fluorine-doped tin oxide/TiO₂/(CH₃NH₃)₂CuCl₄/spiro-OMeTAD/Pt, which exhibited an impressive conversion efficiency of 27.93% along with a fill factor of 62.04%, J _sc of 34.39 mA cm⁻², and V _oc of 1.31 V. Through the software, we conducted a comprehensive study on the impact of back metal contact, hole transport layer, electron transport layer, layer thickness, temperature, and defect density on the overall device performance. These results unveil the development of an environmentally friendly PSC based on methylammonium copper.

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使用 SCAPS-1D 软件对铜基层状过氧化物太阳能电池性能进行数值模拟

过氧化物太阳能电池（PSCs）具有高效、灵活和成本效益高的太阳能生产潜力，适用于可穿戴和低成本应用，因此引起了广泛的研究兴趣。在本研究中，我们成功合成了层状铜基过氧化物材料，随后使用太阳能电池电容模拟器 SCAPS-1D 进行了模拟。本研究介绍了一种以 (CH3NH3)2CuCl4 为活性层的 PSC 结构。我们采用两步化学法成功合成了 (CH3NH3)2CuCl4，并利用陶氏外推法确定了其光带隙。利用实验测定的带隙作为模拟输入，我们预测了一种由玻璃基板/掺氟氧化锡/TiO2/(CH3NH3)2CuCl4/螺-OMeTAD/Pt 组成的太阳能结构。我们通过软件全面研究了背金属接触、空穴传输层、电子传输层、层厚度、温度和缺陷密度对器件整体性能的影响。这些结果揭示了基于甲基铵铜的环保型 PSC 的发展方向。

本文章由计算机程序翻译，如有差异，请以英文原文为准。

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来源期刊

Modelling and Simulation in Materials Science and Engineering 工程技术-材料科学：综合

CiteScore

3.30

自引率

5.60%

发文量

审稿时长

1.7 months

期刊介绍： Serving the multidisciplinary materials community, the journal aims to publish new research work that advances the understanding and prediction of material behaviour at scales from atomistic to macroscopic through modelling and simulation. Subject coverage: Modelling and/or simulation across materials science that emphasizes fundamental materials issues advancing the understanding and prediction of material behaviour. Interdisciplinary research that tackles challenging and complex materials problems where the governing phenomena may span different scales of materials behaviour, with an emphasis on the development of quantitative approaches to explain and predict experimental observations. Material processing that advances the fundamental materials science and engineering underpinning the connection between processing and properties. Covering all classes of materials, and mechanical, microstructural, electronic, chemical, biological, and optical properties.