Numerical modeling and performance analysis of rubidium-based double perovskite solar cells: A comprehensive study

IF 4.3 3区材料科学 Q2 CHEMISTRY, MULTIDISCIPLINARY

Journal of Physics and Chemistry of Solids Pub Date : 2025-04-21 DOI:10.1016/j.jpcs.2025.112797

Ubaid Ur Rehman , Kashaf Ul Sahar , Qian Wang , Md Ferdous Rahman , Ejaz Hussain , Chun-Ming Wang

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Abstract

This study investigates the performance optimization of rubidium based lead-free perovskite solar cells (PSCs).

S o l a r C e l l C a p a c i t a n c e S i m u l a t o r (S C A P S) - 1 D

modeling was employed to optimize the performance of a Rb₂LiGaI₆ based double PSC with tungsten disulfide (WS₂) as the electron transport layer (ETL) and Cu₂O, CuI, CuSCN, CuO, MoO₃, Spiro-OMeTAD and PEDOT:PSS as hole transport layers (HTLs). The optimized solar cell architecture is configured as FTO/WS₂/Rb₂LiGaI₆/CuI/Au. The key parameters i.e. absorber layer (Rb₂LiGaI₆) thickness, acceptor doping density (N_a), interface defect densities (IDL) at WS₂/Rb₂LiGaI₆ and Rb₂LiGaI₆/CuI junctions, as well as the series resistance (R_s), shunt resistance (R_sh) and operating temperature, were thoroughly optimized. The optimization spectra of current-voltage (I–V) and quantum efficiency (QE) revealed substantial improvements in open circuit voltage (V_oc), short circuit current density (J_sc), fill factor (FF), and power conversion efficiency (PCE). The remarkable improvement in PCE of the optimized device from 24.59 % to 28.71 % is attributed to incorporating the unique double perovskite structure of Rb₂LiGaI₆, which provides high lattice stability and tunable electronic properties. This work highlights the potential of Rb₂LiGaI₆ perovskite for advancing environmentally sustainable solar energy applications.

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铷基双钙钛矿太阳能电池的数值模拟与性能分析：综合研究

本文研究了铷基无铅钙钛矿太阳能电池（PSCs）的性能优化。采用SolarCellCapacitanceSimulatorSCAPS−1D模型优化了以二硫化钨（WS2）为电子传输层（ETL）， Cu2O、CuI、CuSCN、CuO、MoO3、Spiro-OMeTAD和PEDOT:PSS为空穴传输层（HTLs）的Rb2LiGaI6基双PSC的性能。优化后的太阳能电池结构配置为FTO/WS2/Rb2LiGaI6/CuI/Au。对吸收层（Rb2LiGaI6）厚度、受体掺杂密度（Na）、WS2/Rb2LiGaI6和Rb2LiGaI6/CuI结处的界面缺陷密度（IDL）以及串联电阻（Rs）、分流电阻（Rsh）和工作温度等关键参数进行了优化。优化后的电流电压谱（I-V）和量子效率谱（QE）显示出开路电压（Voc）、短路电流密度（Jsc）、填充因子（FF）和功率转换效率（PCE）的显著改善。优化后器件的PCE从24.59%提高到28.71%，这主要归功于Rb2LiGaI6独特的双钙钛矿结构，该结构提供了高晶格稳定性和可调谐的电子性能。这项工作突出了Rb2LiGaI6钙钛矿在推进环境可持续太阳能应用方面的潜力。

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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.