All inorganic CsSnI3-based perovskite solar cells: design and comprehensive optimization by SCAPS simulation and DFT study

IF 3.3 3区工程技术 Q2 ENGINEERING, ELECTRICAL & ELECTRONIC Optical and Quantum Electronics Pub Date : 2024-11-18 DOI:10.1007/s11082-024-06628-9

Yongqi Liu, Xin Zhang, Cheng Zhang, Biao Wu, Maoliang Wu, Jiang Wu, Zaiguo Fu, Xinxia Ma, Yongfeng Qi, Wenhao Li

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Abstract

Traditional lead-based solar cells are not easy to commercialize on a large scale due to their toxicity and instability to the environment and the human body. Tin-based perovskites have received widespread attention from scholars since they were discovered to have potential as absorber layers in perovskite solar cells. However, compared with lead-based perovskite solar cells (PSCs), tin-based perovskite solar cells as the absorber layer have lower power conversion efficiency. In addition, the most popular hole transport layer material is Spiro-OMeTAD, which is an expensive and poor stability organic material, which limits the development of PSC. To overcome the above issues, this work made a comprehensive optimization of the device structure by using SCAPS-1D software, and finally designed a high-performance all-inorganic CsSnI₃-based PSC. In addition, the electrical properties of the absorber layer are investigated by first-principles. Different from the traditional point-by-point optimization, this work adopts the two-factor dynamic optimization method, and the optimized power conversion efficiency is 30.58%, and the fill factor is 70.73%. This study demonstrates the potential of CsSnI₃ as an absorber layer of high-performance PSCs and provides guidance for future research on all-inorganic perovskite solar cells.

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基于 CsSnI3 的全无机包晶太阳能电池：通过 SCAPS 仿真和 DFT 研究进行设计和全面优化

传统的铅基太阳能电池因其对环境和人体的毒性和不稳定性而难以大规模商业化。自从发现锡基过氧化物具有作为过氧化物太阳能电池吸收层的潜力后，锡基过氧化物受到了学者们的广泛关注。然而，与铅基透辉石太阳能电池相比，作为吸收层的锡基透辉石太阳能电池的功率转换效率较低。此外，目前最流行的空穴传输层材料是斯派罗-OMeTAD，这是一种价格昂贵且稳定性差的有机材料，限制了 PSC 的发展。为了克服上述问题，本研究利用 SCAPS-1D 软件对器件结构进行了全面优化，最终设计出了一种基于 CsSnI3 的高性能全无机 PSC。此外，还利用第一性原理研究了吸收层的电学特性。与传统的逐点优化不同，本研究采用了双因素动态优化方法，优化后的功率转换效率为 30.58%，填充因子为 70.73%。该研究证明了 CsSnI3 作为高性能 PSCs 吸收层的潜力，并为未来全无机包晶太阳能电池的研究提供了指导。

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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.