发表机构
University of Rajshahi; Gono Bishwabidyalay; Begum Rokeya University（拉杰沙希大学; 贡诺比什瓦比雅拉伊大学; 贝古姆罗凯亚大学）
机构由 AI 辅助整理，请以论文原文为准。AI 中文总结
本研究通过COMSOL三维有限元模拟优化SrScCu3Se4四元硫族化物异质结太阳能电池，实现29.217%效率，证明其作为高效热稳定吸收材料的潜力。
AI 中文摘要
过渡金属基四元半导体表现出强的磁光性质和热电性质，然而它们在实际三维器件架构中的光伏性能仍未得到充分探索。在本工作中，我们利用COMSOL Multiphysics中的三维有限元模拟研究了一种n-ZnSe/p-SrScCu3Se4/p+-WSe2四元硫族化物异质结构。该模型在完全耦合的光-电-热框架下，在AM1.5G、1个太阳光照条件下，自洽地耦合了波长相关的光学产生、漂移-扩散载流子输运和热损耗分析。本研究考察了吸收层宽度、受主能级和体缺陷对光伏性能、载流子产生和复合分布的影响。在优化条件下，四元硫族化物器件产生了1.02 V的开路电压（VOC）、32.472 mA/cm2的短路电流密度（JSC）、88.212%的填充因子（FF）和29.217%的功率转换效率（PCE）。量子效率（QE）结果表明，该器件在可见光谱范围内有效地将入射光转换为电荷载流子，然而在近红外范围内吸收和载流子收集性能有所下降。电热模拟表明，与焦耳热和活性层内非辐射复合加热相关的温度升高适度且空间上不均匀。总体而言，这些发现确保了四元硫族化物SrScCu3Se4是一种有前景的吸收材料，并为获得高性能、热稳定的三维光伏器件拓扑结构提供了强有力的实验设计考虑。
英文摘要
Transition metal-based quaternary semiconductors show strong magneto-optical and thermoelectric properties, yet their photovoltaic performance in realistic three-dimensional device architectures remains underexplored. In this work, we investigate a n-ZnSe/p-SrScCu3Se4/p+-WSe2 quaternary chalcogenide heterostructure using three-dimensional finite-element simulations in COMSOL Multiphysics. The model self-consistently couples wavelength-dependent optical generation, drift-diffusion carrier transport, and thermal loss analysis under AM1.5G, 1-sun illumination within a fully coupled opto-electro-thermal framework. The effect of absorber width, acceptor level, and bulk defects on photovoltaic performance, carrier generation, and recombination profile is investigated in this study. Quaternary chalcogenide device produces an open circuit voltage (VOC) of 1.02 V, short-circuit current density (JSC) of 32.472 mA/cm2, fill factor (FF) of 88.212%, and power conversion efficiency (PCE) of 29.217% under optimized conditions. The quantum efficiency (QE) results indicate that the device effectively transforms incident light into charge carriers within the visible spectrum, however absorption and carrier collecting performance diminish in the near-infrared range. The electrothermal simulations indicate modest, spatially non-uniform temperature increases relevant to Joule heating and nonradiative recombination heating within the active layers. Overall, these findings ensure that SrScCu3Se4, a quaternary chalcogenide, is a promising absorber material and offers a strong experimental design consideration for obtaining high-performance, thermally stable three-dimensional photovoltaic device topologies.
Comments29 pages, 11 figures, 1 table
