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<p>This study presents a numerical investigation of lead-free CsSnBr<sub>3</sub> perovskite solar cells (PSCs) employing graphene oxide (GO) as a hole transport layer, with particular emphasis on interface-regulated charge transport. Using SCAPS-1D simulations, the effects of absorber thickness, bulk and interfacial defect densities, operating temperature, and oxygen functionalization in GO are systematically analyzed within a fluorine-doped tin oxide (FTO)/TiO<sub>2</sub>/CsSnBr<sub>3</sub>/GO/Au device architecture. The baseline device exhibits power conversion efficiency (PCE) of 13.36%. Optimization of the absorber thickness to 500&#xa0;nm enhances light absorption and carrier collection, resulting in PCE of 17.81%, while elevated operating temperatures lead to efficiency degradation due to increased recombination. Furthermore, incorporation of oxygen-functionalized GO with an oxygen content of approximately 33% improves energy-level alignment at the CsSnBr<sub>3</sub>/GO interface, promotes efficient hole extraction, and suppresses recombination losses, yielding PCE of 17.45%. These results demonstrate that oxygen functional groups play a critical role in tuning the electronic properties of GO and governing interfacial charge-transport dynamics, providing a viable interface-engineering strategy for improving the performance of lead-free PSCs.</p> Graphical Abstract <p></p>

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Tuning Oxygen Functionalization in Graphene Oxide Hole Transport Layer to Enhance the Performance of Lead-Free CsSnBr3 Perovskite Solar Cells: A SCAPS-1D Simulation Study

  • 期刊论文

  • 发表日期：

    2026年7月2日

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  • Mawaddah Waraadiyah,
  • Dini Setiyani,
  • Intan Riani Solo,
  • Muhammad Yusrul Hanna,
  • Eri Widianto,
  • Natalita Maulani Nursam,
  • Kuwat Triyana,
  • Iman Santoso

摘要

This study presents a numerical investigation of lead-free CsSnBr3 perovskite solar cells (PSCs) employing graphene oxide (GO) as a hole transport layer, with particular emphasis on interface-regulated charge transport. Using SCAPS-1D simulations, the effects of absorber thickness, bulk and interfacial defect densities, operating temperature, and oxygen functionalization in GO are systematically analyzed within a fluorine-doped tin oxide (FTO)/TiO2/CsSnBr3/GO/Au device architecture. The baseline device exhibits power conversion efficiency (PCE) of 13.36%. Optimization of the absorber thickness to 500 nm enhances light absorption and carrier collection, resulting in PCE of 17.81%, while elevated operating temperatures lead to efficiency degradation due to increased recombination. Furthermore, incorporation of oxygen-functionalized GO with an oxygen content of approximately 33% improves energy-level alignment at the CsSnBr3/GO interface, promotes efficient hole extraction, and suppresses recombination losses, yielding PCE of 17.45%. These results demonstrate that oxygen functional groups play a critical role in tuning the electronic properties of GO and governing interfacial charge-transport dynamics, providing a viable interface-engineering strategy for improving the performance of lead-free PSCs.

Graphical Abstract