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<p>Copper-based ternary chalcogenides have emerged as promising absorber materials for heterojunction thin-film solar cells (HJTFSCs) in recent years due to their excellent properties such as optimal band gap, high absorption coefficient, low cost, non-toxicity, sustainability and environmental friendliness. Researchers have made significant efforts to improve the performance of chalcogenide-based HJTFSCs through both numerical simulations and synthesis methods. Simulation of <i>p</i>-Cu<i>MX</i><sub>2</sub> (<i>M</i> = Sb, Bi; <i>X</i> = S, Se) such as <i>p</i>-type CuSbS<sub>2</sub> (CAS), CuSbSe<sub>2</sub> (CASe), CuBiS<sub>2</sub> (CBS) and CuBiSe<sub>2</sub> (CBSe)-based HJTFSCs using various buffer layers such as <i>n</i>-CdS, <i>n</i>-CdSe, <i>n</i>-SnS<sub>2</sub> and <i>n</i>-GaSe was done using the solar cell capacitance simulator one dimension (SCAPS-1D). The main objective is to identify the most suitable buffer layer for copper-based ternary chalcogenide HJTFSCs. The HJTFSC architecture used is ZnO:Al/i-ZnO/n-buffer/p-absorber/Mo. SCAPS-1D provides a reliable platform to study the properties of each layer, including thickness, carrier concentration, band gap, electron affinity and other physical parameters. The simulated results for the ZnO:Al/i-ZnO/n-buffer/p-absorber/Mo architecture present the essential performance matrix, including the short-circuit current density (<i>J</i><sub>sc</sub>), open-circuit voltage (<i>V</i><sub>oc</sub>), fill factor (FF) and efficiency (<i>η</i>). The best values of all the parameters were obtained for CASe/CdS junction as 31.8&#xa0;mA, 0.67&#xa0;V, 0.71 and 15.1%, respectively. The simulations help determine the best-performing buffer and absorber combinations at room temperature (300&#xa0;K). The simulation conditions include a front internal transmission coefficient of 1 and a reverse voltage from right to left of − 1&#xa0;V, under the AM 1.5 solar spectrum, with an illumination intensity of 100&#xa0;mW/cm<sup>2</sup>.</p>

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Conduction Band Offset Engineering and Computational Assessment of Buffer Layers for Copper-Based Ternary Chalcogenide Photovoltaics

  • 期刊论文

  • 发表日期：

    2026年7月16日

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  • Shankar Lal,
  • Shyam Sunder Sharma,
  • Sushila Rathore,
  • Kinjal Patel,
  • Jaymin Ray

摘要

Copper-based ternary chalcogenides have emerged as promising absorber materials for heterojunction thin-film solar cells (HJTFSCs) in recent years due to their excellent properties such as optimal band gap, high absorption coefficient, low cost, non-toxicity, sustainability and environmental friendliness. Researchers have made significant efforts to improve the performance of chalcogenide-based HJTFSCs through both numerical simulations and synthesis methods. Simulation of p-CuMX2 (M = Sb, Bi; X = S, Se) such as p-type CuSbS2 (CAS), CuSbSe2 (CASe), CuBiS2 (CBS) and CuBiSe2 (CBSe)-based HJTFSCs using various buffer layers such as n-CdS, n-CdSe, n-SnS2 and n-GaSe was done using the solar cell capacitance simulator one dimension (SCAPS-1D). The main objective is to identify the most suitable buffer layer for copper-based ternary chalcogenide HJTFSCs. The HJTFSC architecture used is ZnO:Al/i-ZnO/n-buffer/p-absorber/Mo. SCAPS-1D provides a reliable platform to study the properties of each layer, including thickness, carrier concentration, band gap, electron affinity and other physical parameters. The simulated results for the ZnO:Al/i-ZnO/n-buffer/p-absorber/Mo architecture present the essential performance matrix, including the short-circuit current density (Jsc), open-circuit voltage (Voc), fill factor (FF) and efficiency (η). The best values of all the parameters were obtained for CASe/CdS junction as 31.8 mA, 0.67 V, 0.71 and 15.1%, respectively. The simulations help determine the best-performing buffer and absorber combinations at room temperature (300 K). The simulation conditions include a front internal transmission coefficient of 1 and a reverse voltage from right to left of − 1 V, under the AM 1.5 solar spectrum, with an illumination intensity of 100 mW/cm2.