Achieving significant improvements in efficiency of CsSnI3-based solar cells through interfacial engineering design modifications using SCAPS 1D and DFT simulation

IF 3.3 3区工程技术 Q2 ENGINEERING, ELECTRICAL & ELECTRONIC

Optical and Quantum Electronics Pub Date : 2025-03-22 DOI:10.1007/s11082-025-08154-8

M. T. Islam, Mukaddar Sk

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引用次数: 0

Abstract

Perovskite solar cell technology approaches the brink of commercialization, the issue of organic materials and toxic remains a concern. CsSnI₃, with its eco-friendly nature, optimal 1.3 eV band gap, high carrier mobility, and Sn-enhanced stability, stands out as a promising alternative. However, its experimental efficiency is hindered by issues like energy band misalignment, high carrier concentration, and defects. In this work, we present a modification to the structure of a CsSnI₃/TiO₂ solar cell to tackle its low experimental efficiency. This proposed design focuses on achieving optimal energy band alignment and reducing bulk recombination by optimizing the band gap, conduction band offset, carrier mobility, and defect density within the absorber bulk. Additionally, it aims to mitigate interfacial recombination by inserting a thin intrinsic layer at the CsSnI₃/TiO₂ interface. The modifications to the CsSnI₃ solar cell architecture have significantly increased its efficiency to 24.54%, up from the previously reported 12.96%.

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通过 SCAPS 1D 和 DFT 模拟对界面工程设计进行修改，大幅提高基于 CsSnI3 的太阳能电池的效率

Perovskite 太阳能电池技术已接近商业化的边缘，但有机材料和有毒物质的问题仍然令人担忧。CsSnI3 具有环保特性、最佳 1.3 eV 带隙、高载流子迁移率和 Sn 增强的稳定性，是一种很有前途的替代材料。然而，能带错位、高载流子浓度和缺陷等问题阻碍了它的实验效率。在这项研究中，我们提出了一种对 CsSnI3/TiO2 太阳能电池结构的修改方案，以解决其实验效率低的问题。这一设计方案的重点是通过优化吸收体内部的带隙、导带偏移、载流子迁移率和缺陷密度，实现最佳能带排列和减少体重组。此外，该设计还旨在通过在 CsSnI3/TiO2 界面插入一层薄的本征层来减少界面重组。对 CsSnI3 太阳能电池结构的修改使其效率从之前报告的 12.96% 显著提高到 24.54%。

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

Optical and Quantum Electronics 工程技术-工程：电子与电气

CiteScore

4.60

自引率

20.00%

发文量

810

审稿时长

3.8 months

期刊介绍： Optical and Quantum Electronics provides an international forum for the publication of original research papers, tutorial reviews and letters in such fields as optical physics, optical engineering and optoelectronics. Special issues are published on topics of current interest. Optical and Quantum Electronics is published monthly. It is concerned with the technology and physics of optical systems, components and devices, i.e., with topics such as: optical fibres; semiconductor lasers and LEDs; light detection and imaging devices; nanophotonics; photonic integration and optoelectronic integrated circuits; silicon photonics; displays; optical communications from devices to systems; materials for photonics (e.g. semiconductors, glasses, graphene); the physics and simulation of optical devices and systems; nanotechnologies in photonics (including engineered nano-structures such as photonic crystals, sub-wavelength photonic structures, metamaterials, and plasmonics); advanced quantum and optoelectronic applications (e.g. quantum computing, memory and communications, quantum sensing and quantum dots); photonic sensors and bio-sensors; Terahertz phenomena; non-linear optics and ultrafast phenomena; green photonics.