Novel lead-free dual absorber based perovskite solar cells: efficient numerical harnessing towards high efficiency through SCAPS-1D

IF 4.3 3区材料科学 Q2 CHEMISTRY, MULTIDISCIPLINARY

Journal of Physics and Chemistry of Solids Pub Date : 2025-04-17 DOI:10.1016/j.jpcs.2025.112776

Tathagat Bhanj Dev , Annaladasu Srivani , Sakshee Rajpoot , Sukanta Dhar

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Abstract

In the quest for environmentally friendly and highly efficient perovskite solar cells (PSCs). The present study has designed and numerically optimized a novel, cost effective dual absorber FTO/TiO₂/CsSnI₃/Cs₃Sb₂Br₉/Spiro-OMeTAD/Ni. This novel configuration leverages the synergistic properties of narrow bandgap absorber (NBA) CsSnI₃ and wide bandgap absorber (WBA) Cs₃Sb₂Br₉ to broaden the absorption spectrum and enhance device performance. Initial simulations using SCAPS-1D yielded a power conversion efficiency (PCE) of 24.80 %, with an open-circuit voltage (V_oc) of 1.160 V, a short-circuit current density (J_sc) of 26.54 mA/cm², and a fill factor (FF) of 80.50 %. Through systematic optimization of critical device parameters—including absorber layer full thickness, thickness ratio of WBA/NBA, doping densities of absorber and ETL HTL, defect densities, and interface properties—For this attained a peak efficiency of 30.58 %, accompanied by a V_oc of 1.1906 V, a J_sc of 29.8387 mA/cm², and an FF of 86.08 %. According to the latest NREL data, the highest reported efficiency for perovskite solar cells is 26.1 %. Additionally, the impact of back metal contact work function and temperature variations were analyzed and found Nickel (Ni) can be a good alternative to Gold (Au) which gives a good cost-effective solution. Our investigations reveal that a double absorber layer structure, because of broadening the absorption spectrum and enhancing cell stability, outperforms a single-absorber based PSC. These results highlight the potential of our proposed novel combination of bilayer structure to drive the development of lead-free, high-performance PSCs, offering a promising pathway for future experimental validation and large-scale application in sustainable solar energy solutions.

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新型无铅双吸收剂钙钛矿太阳能电池：通过SCAPS-1D实现高效率的高效数值利用

在追求环保和高效的钙钛矿太阳能电池（PSCs）。本研究设计并数值优化了一种新型的、具有成本效益的双吸收剂FTO/TiO2/CsSnI3/Cs3Sb2Br9/Spiro-OMeTAD/Ni。这种新颖的结构利用窄带隙吸收剂（NBA） CsSnI3和宽带隙吸收剂（WBA） Cs3Sb2Br9的协同特性来拓宽吸收光谱并提高器件性能。使用SCAPS-1D进行初始仿真，得到的功率转换效率（PCE）为24.80%，开路电压（Voc）为1.160 V，短路电流密度（Jsc）为26.54 mA/cm2，填充因子（FF）为80.50%。通过对吸收层全厚度、WBA/NBA厚度比、吸收层与ETL掺杂密度、缺陷密度、界面性能等关键器件参数的系统优化，获得了30.58%的峰值效率，Voc为1.1906 V， Jsc为29.8387 mA/cm2， FF为86.08%。根据最新的NREL数据，钙钛矿太阳能电池的最高效率为26.1%。此外，还分析了后金属接触功函数和温度变化的影响，发现镍（Ni）可以很好地替代金（Au），具有良好的成本效益。我们的研究表明，双吸收层结构，由于扩大吸收光谱和提高电池稳定性，优于基于单吸收层的PSC。这些结果凸显了我们提出的新型双层结构组合在推动无铅高性能psc发展方面的潜力，为未来的实验验证和可持续太阳能解决方案的大规模应用提供了一条有希望的途径。

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来源期刊

Journal of Physics and Chemistry of Solids 工程技术-化学综合

CiteScore

7.80

自引率

2.50%

发文量

605

审稿时长

40 days

期刊介绍： The Journal of Physics and Chemistry of Solids is a well-established international medium for publication of archival research in condensed matter and materials sciences. Areas of interest broadly include experimental and theoretical research on electronic, magnetic, spectroscopic and structural properties as well as the statistical mechanics and thermodynamics of materials. The focus is on gaining physical and chemical insight into the properties and potential applications of condensed matter systems. Within the broad scope of the journal, beyond regular contributions, the editors have identified submissions in the following areas of physics and chemistry of solids to be of special current interest to the journal: Low-dimensional systems Exotic states of quantum electron matter including topological phases Energy conversion and storage Interfaces, nanoparticles and catalysts.