Solution-Free Melt-Grown CsGeI3 Polycrystals for Lead-Free Perovskite Photovoltaics: Synthesis, Characterization, and Theoretical Insights

IF 2.2 4区 工程技术 Q3 ENGINEERING, ELECTRICAL & ELECTRONIC Journal of Electronic Materials Pub Date : 2024-08-19 DOI:10.1007/s11664-024-11377-2
Mariot Jose Panjikaran, A. Pramitha, Vikash Mishra, Ganesh Shridhar Hegde, Ashwatha Narayana Prabhu, Nagabhushan Jnaneshwar Choudhari, Abdelmajid Timoumi, Y. Raviprakash
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Abstract

Inorganic lead-free metal halide perovskites are being rigorously explored as a substitute for organic lead-based materials for various energy device applications. Germanium as a replacement for lead has been proven to give exemplary results theoretically, and there have been promising results. The current work presents the investigation of CsGeI3 (CGI) polycrystals grown using a solution-free melt-growth technique with low-cost precursors. A soak-ramp profile was designed to synthesize polycrystalline powders, which were evaluated for stability. X-ray diffraction and Raman spectroscopy analysis suggest the formation of CsGeI3 perovskite powders, matching the reported literature. Diffuse reflectance spectroscopy measurements showed the bandgap of the polycrystals to be around 1.6 eV. A prominent photoluminescence peak was obtained at 767 nm. The powders were examined using thermogravimetric analysis to assess the thermal degradation pathways. The as-grown inorganic perovskite polycrystals were relatively stable during storage under ambient conditions. Theoretical studies were also carried out to support the experimental data. Calculations were performed with different approximations, including local density approximation (LDA), generalized gradient approximation (GGA), and Heyd–Scuseria–Ernzerhof (HSE) approximation, out of which the HSE approximation yielded the most accurate results that matched the experimental findings. Moreover, for the CGI device with Ag electrodes simulated using SCAPS-1D software, highest incident photon-to-electron conversion efficiency was observed. The obtained optical and structural properties indicate the suitability of the synthesized CsGeI3 perovskite polycrystals for photovoltaic applications, specifically solar cells and light-emitting diodes.

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用于无铅过氧化物光伏技术的无溶液熔融生长 CsGeI3 多晶体:合成、表征和理论启示
无机无铅金属卤化物包光体作为有机铅基材料的替代品,在各种能源设备应用中得到了严格的探索。锗作为铅的替代物已被证明在理论上具有典范意义,并取得了可喜的成果。目前的研究工作介绍了利用无溶液熔融生长技术和低成本前驱体生长的铯锗碘3(CGI)多晶体。设计了一种浸泡-斜坡曲线来合成多晶粉末,并对其稳定性进行了评估。X 射线衍射和拉曼光谱分析表明形成了 CsGeI3 包晶粉末,与文献报道相符。漫反射光谱测量显示,多晶体的带隙约为 1.6 eV。在 767 纳米波长处有一个突出的光致发光峰。使用热重分析法对粉末进行了检测,以评估热降解途径。在环境条件下,生长的无机包晶多晶体在储存期间相对稳定。为支持实验数据,还进行了理论研究。计算采用了不同的近似方法,包括局部密度近似法(LDA)、广义梯度近似法(GGA)和 Heyd-Scuseria-Ernzerhof 近似法(HSE)。此外,对于使用 SCAPS-1D 软件模拟的带有银电极的 CGI 器件,入射光子到电子的转换效率最高。所获得的光学和结构特性表明,合成的 CsGeI3 包晶多晶体适用于光伏应用,特别是太阳能电池和发光二极管。
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
Journal of Electronic Materials
Journal of Electronic Materials 工程技术-材料科学:综合
CiteScore
4.10
自引率
4.80%
发文量
693
审稿时长
3.8 months
期刊介绍: The Journal of Electronic Materials (JEM) reports monthly on the science and technology of electronic materials, while examining new applications for semiconductors, magnetic alloys, dielectrics, nanoscale materials, and photonic materials. The journal welcomes articles on methods for preparing and evaluating the chemical, physical, electronic, and optical properties of these materials. Specific areas of interest are materials for state-of-the-art transistors, nanotechnology, electronic packaging, detectors, emitters, metallization, superconductivity, and energy applications. Review papers on current topics enable individuals in the field of electronics to keep abreast of activities in areas peripheral to their own. JEM also selects papers from conferences such as the Electronic Materials Conference, the U.S. Workshop on the Physics and Chemistry of II-VI Materials, and the International Conference on Thermoelectrics. It benefits both specialists and non-specialists in the electronic materials field. A journal of The Minerals, Metals & Materials Society.
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