SCAPS 1D based study of hole and electron transfer layers to improve MoS2–ZrS2 solar cell efficiency

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

Modelling and Simulation in Materials Science and Engineering Pub Date : 2024-07-01 DOI:10.1088/1361-651x/ad5a2b

Bhoomi S Shah, Jiten P Tailor, Sunil H Chaki and M P Deshpande

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引用次数: 0

Abstract

In the realm of photovoltaic applications, scientists and technocrats are striving to maximize the solar cell input photon energy conversion to electricity. However, achieving optimal cell efficiency requires significant time and energy investment for each variation and optimization. To overcome this issue authors simulated and studied the fabricated cell for optimizing conditions, which can save time and efforts for the relatively better outcomes. The family of transition metal chalcogenides holds promise as a material that yield improved outcomes in optoelectronic applications, particularly in photovoltaics. These materials are employed in experimental investigations aimed at enhancing solar cell parameters, resulting in the development of the FTO/ZnO/ZrS2/MoS2/CuO/Au composite cell. Numerical simulations utilizing SCAPS-1D software is conducted, focusing on the significance of CuO as a hole transport layer (HTL), and ZnO as an electron transport layer (ETL). The investigation examines into the impact of various factors, including thickness, bandgap, and carrier densities for both HTL and ETL, on fundamental solar cell parameters. The study indicates that device parameters are influenced by factors such as recombination rate, photogenerated current, charge carrier length, and built-in-voltage. Optimized parameters for HTL, including thickness, bandgap, and carrier concentration, are determined to be 0⋅35 μm, 1⋅2 eV, and 1⋅0 × 1020 cm–3, respectively. For ETL, the optimized parameters are found to be 0⋅05 μm, 3⋅1 eV, and 1⋅0 × 1018 cm–3, respectively. With these optimized parameters, the efficiency of the solar cell reached 20⋅64%, accompanied by open circuit voltage, short circuit current density, and fill factor values of 0.836 V, 36.021 mA⋅cm–2, and 68⋅54%, respectively. The simulated results indicate that addition of two extra layers and the use of efficient binary materials in heterojunction formation can effectively enhance device parameters, offering advantages such as low-cost and large-scale fabrication.

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基于 SCAPS 1D 的空穴和电子转移层研究，提高 MoS2-ZrS2 太阳能电池的效率

在光伏应用领域，科学家和技术专家都在努力将太阳能电池输入的光子能量最大限度地转化为电能。然而，要达到最佳的电池效率，每次变化和优化都需要投入大量的时间和精力。为了克服这一问题，作者对制造的电池进行了模拟和研究，以优化条件，从而节省时间和精力，获得相对较好的结果。过渡金属钙钛矿系列材料有望在光电应用，尤其是光伏领域取得更好的成果。在旨在提高太阳能电池参数的实验研究中采用了这些材料，从而开发出了 FTO/ZnO/ZrS2/MoS2/CuO/Au 复合电池。利用 SCAPS-1D 软件进行了数值模拟，重点研究了 CuO 作为空穴传输层（HTL）和 ZnO 作为电子传输层（ETL）的重要性。研究探讨了各种因素（包括 HTL 和 ETL 的厚度、带隙和载流子密度）对太阳能电池基本参数的影响。研究表明，器件参数受重组率、光生成电流、电荷载流子长度和内置电压等因素的影响。HTL 的优化参数包括厚度、带隙和载流子浓度，分别确定为 0⋅35 μm、1⋅2 eV 和 1⋅0 × 1020 cm-3。对于 ETL，优化参数分别为 0⋅05 μm、3⋅1 eV 和 1⋅0 × 1018 cm-3。在这些优化参数的作用下，太阳能电池的效率达到 20⋅64%，开路电压、短路电流密度和填充因子值分别为 0.836 V、36.021 mA⋅cm-2 和 68⋅54%。模拟结果表明，在异质结形成过程中增加两个额外层并使用高效二元材料可有效提高器件参数，具有低成本和大规模制造等优势。

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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.