Unveiling the impact of Se based HTM on BaZrSe3 perovskites solar cell and improving the theoretical efficiency above 32%

IF 3.9 3区材料科学 Q2 MATERIALS SCIENCE, MULTIDISCIPLINARY Materials Science and Engineering B-advanced Functional Solid-state Materials Pub Date : 2024-11-13 DOI:10.1016/j.mseb.2024.117817

Md Masum Mia , Md. Faruk Hossain , Mahabur Rahman , Nacer Badi , Ahmad Irfan , Md. Ferdous Rahman

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Abstract

In light of growing global energy demands and the environmental challenges posed by fossil fuels, this study investigates the efficiency improvement of BaZrSe₃-based perovskite solar cells (PSCs) through the application of selenium (Se)-based hole transport materials (HTMs). Chalcogenide perovskites, such as BaZrSe₃, present a viable alternative to conventional photovoltaic materials that are often toxic and scarce. Using SCAPS-1D simulations, we modeled and analyzed the photovoltaic performance of PSCs incorporating different Se-based HTMs, including GeSe, MoSe₂, Sb₂Se₃, and SnSe. The results show that integrating SnSe as the HTM significantly enhances power conversion efficiency (PCE), reaching a theoretical maximum of 32.20%. In contrast, BaZrSe₃-based PSCs without HTMs (FTO/CdS/BaZrSe₃/Au) achieved a PCE of 23.63%. The performance boost is attributed to better band alignment, improved carrier transport, and reduced recombination losses enabled by the SnSe layer. This study underscores the potential of Se-based HTMs in advancing BaZrSe₃-based PSCs, paving the way for sustainable and highly efficient photovoltaic technologies.

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揭示硒基 HTM 对 BaZrSe3 包晶太阳能电池的影响并将理论效率提高到 32% 以上

鉴于日益增长的全球能源需求和化石燃料带来的环境挑战，本研究探讨了通过应用基于硒（Se）的空穴传输材料（HTMs）来提高基于 BaZrSe3 的包晶太阳能电池（PSCs）的效率。BaZrSe3等卤化物包晶是传统光伏材料的可行替代品，而传统光伏材料往往有毒且稀缺。利用 SCAPS-1D 模拟，我们对含有不同硒基 HTM（包括 GeSe、MoSe2、Sb2Se3 和 SnSe）的 PSCs 的光伏性能进行了建模和分析。结果表明，集成 SnSe 作为 HTM 能显著提高功率转换效率（PCE），理论最高可达 32.20%。相比之下，不含 HTM 的基于 BaZrSe3 的 PSC（FTO/CdS/BaZrSe3/Au）的 PCE 为 23.63%。性能的提升归功于更好的带排列、载流子传输的改善以及 SnSe 层带来的重组损耗的降低。这项研究强调了硒基 HTM 在推进基于 BaZrSe3 的 PSC 方面的潜力，为可持续的高效光伏技术铺平了道路。

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来源期刊

Materials Science and Engineering B-advanced Functional Solid-state Materials 工程技术-材料科学：综合

CiteScore

5.60

自引率

2.80%

发文量

481

审稿时长

3.5 months

期刊介绍： The journal provides an international medium for the publication of theoretical and experimental studies and reviews related to the electronic, electrochemical, ionic, magnetic, optical, and biosensing properties of solid state materials in bulk, thin film and particulate forms. Papers dealing with synthesis, processing, characterization, structure, physical properties and computational aspects of nano-crystalline, crystalline, amorphous and glassy forms of ceramics, semiconductors, layered insertion compounds, low-dimensional compounds and systems, fast-ion conductors, polymers and dielectrics are viewed as suitable for publication. Articles focused on nano-structured aspects of these advanced solid-state materials will also be considered suitable.