SCAPS-1D Simulation for Device Optimization to Improve Efficiency in Lead-Free CsSnI3 Perovskite Solar Cells

IF 3.1 4区化学 Q2 CHEMISTRY, INORGANIC & NUCLEAR Inorganics Pub Date : 2024-04-21 DOI:10.3390/inorganics12040123

Hyun-Jae Park, Hyojung Son, Byoung-Seong Jeong

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Abstract

In this study, a novel systematic analysis was conducted to explore the impact of various parameters, including acceptor density (NA), individual layer thickness, defect density, interface defect density, and the metal electrode work function, on efficiency within the FTO/ZnO/CsSnI3/NiOx/Au perovskite solar cell structure through the SCAPS-1D (Solar Cell Capacitance Simulator in 1 Dimension) simulation. ZnO served as the electron transport layer (ETL), CsSnI3 as the perovskite absorption layer (PAL), and NiOx as the hole transport layer (HTL), all contributing to the optimization of device performance. To achieve the optimal power conversion efficiency (PCE), we determined the ideal PAL acceptor density (NA) to be 2 × 1019 cm−3 and the optimal thicknesses to be 20 nm for the ETL (ZnO), 700 nm for the PAL (CsSnI3), and 10 nm for the HTL (NiOx), with the metal electrode remaining as Au. As a result of the optimization process, efficiency increased from 11.89% to 23.84%. These results are expected to contribute to the performance enhancement of eco-friendly, lead-free inorganic hybrid solar cells with Sn-based perovskite as the PAL.

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SCAPS-1D 模拟用于器件优化以提高无铅 CsSnI3 包晶石太阳能电池的效率

本研究通过 SCAPS-1D（一维太阳能电池电容模拟器）模拟，对 FTO/ZnO/CsSnI3/NiOx/Au 包晶体太阳能电池结构中的受体密度 (NA)、单层厚度、缺陷密度、界面缺陷密度和金属电极功函数等各种参数对效率的影响进行了新颖的系统分析。ZnO 作为电子传输层 (ETL)，CsSnI3 作为包晶吸收层 (PAL)，NiOx 作为空穴传输层 (HTL)，这些都有助于优化器件性能。为了达到最佳功率转换效率（PCE），我们确定理想的 PAL 受体密度（NA）为 2 × 1019 cm-3，最佳厚度为 ETL（氧化锌）20 nm、PAL（CsSnI3）700 nm 和 HTL（NiOx）10 nm，金属电极仍为金。经过优化，效率从 11.89% 提高到 23.84%。这些结果有望有助于提高以锡基过氧化物为 PAL 的环保型无铅无机混合太阳能电池的性能。

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来源期刊

Inorganics Chemistry-Inorganic Chemistry

CiteScore

2.80

自引率

10.30%

发文量

193

审稿时长

6 weeks

期刊介绍： Inorganics is an open access journal that covers all aspects of inorganic chemistry research. Topics include but are not limited to: synthesis and characterization of inorganic compounds, complexes and materials structure and bonding in inorganic molecular and solid state compounds spectroscopic, magnetic, physical and chemical properties of inorganic compounds chemical reactivity, physical properties and applications of inorganic compounds and materials mechanisms of inorganic reactions organometallic compounds inorganic cluster chemistry heterogenous and homogeneous catalytic reactions promoted by inorganic compounds thermodynamics and kinetics of significant new and known inorganic compounds supramolecular systems and coordination polymers bio-inorganic chemistry and applications of inorganic compounds in biological systems and medicine environmental and sustainable energy applications of inorganic compounds and materials MD