Strategies to Enhance the Efficiency of Cu3BiS3-Based Photovoltaic Devices: Simulation Insights and Buffer Layer Engineering

ACS Applied Optical Materials Pub Date : 2024-12-31 DOI:10.1021/acsaom.4c0041110.1021/acsaom.4c00411

Maxwell Santana Liborio, Carlos Oliveira Amorim*, José César Augusto Queiroz, Sivabalan M. Sivasankar, Thercio Henrique de Carvalho Costa and António F. da Cunha,

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Abstract

Cu₃BiS₃ (CBS) is a promising p-type absorber known for its stability, nontoxicity, and noncritical elements. However, CBS-based photovoltaic (PV) devices currently exhibit power conversion efficiencies (PCEs) that significantly lag behind those of established PV technologies. This study explores the enhancement of CBS-based PV devices through SCAPS-1D simulations, examining the effects of different buffer layers (CdS, ZnS, and ZnOS) and transparent conductive oxides (TCOs) on device performance. Our findings show that a ZnOS buffer layer improves substantially the PCEs due to its superior band alignment with CBS. Moreover, by fine-tuning the properties of each layer, we demonstrate a potential efficiency increase up to 20.07%. These results highlight CBS’s potential to create efficient, sustainable PV cells and provide a framework for further experimental and theoretical advancements.

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来源期刊

ACS Applied Optical Materials 材料科学-光学材料-

CiteScore

1.10

自引率

0.00%

发文量

期刊介绍： ACS Applied Optical Materials is an international and interdisciplinary forum to publish original experimental and theoretical including simulation and modeling research in optical materials complementing the ACS Applied Materials portfolio. With a focus on innovative applications ACS Applied Optical Materials also complements and expands the scope of existing ACS publications that focus on fundamental aspects of the interaction between light and matter in materials science including ACS Photonics Macromolecules Journal of Physical Chemistry C ACS Nano and Nano Letters.The scope of ACS Applied Optical Materials includes high quality research of an applied nature that integrates knowledge in materials science chemistry physics optical science and engineering.