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Open AccessDOI: 10.1007/s40843-025-3547-7Original Research

Three birds with one stone: dual-interfaces and bulk co-passivation enable >21% efficiency of CsPbI3 solar cells with VOC of 1.27 V

Key Laboratory of Advanced Functional Materials of Jiangsu Province, School of Materials Science and Engineering, Changzhou University

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Three birds with one stone: dual-interfaces and bulk co-passivation enable >21% efficiency of CsPbI3 solar cells with VOC of 1.27 V
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Published In
SCIENCE CHINA Materials
Published:January 15, 2026Edition:Vol. 69, Issue 1 • pp. 100-112Citation:Na Zhang et al. (2026), SCIENCE CHINA Materials
Impact Factor3.5 (Q2 Scopus)
Source Journal中国科学: 材料
Strategic Intelligence Pillar
Perovskite Solar Cells: Silicon/Perovskite Tandem Cells, 2D/3D Passivation & Module Stability
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Key Takeaways & Executive Findings

  • • • The (ETP)2SbCl5-modified CsPbI3 solar cell achieves a PCE of 21.71% and a VOC of 1.27 V, representing a significant improvement over control devices (typically <20% PCE). This efficiency gain is critical for commercial viability, as it approaches the theoretical limit for single-junction cells and enhances competitiveness against silicon. • • The device retains 97.4% of its initial PCE after 500 h of continuous maximum power point (MPP) tracking, demonstrating exceptional operational stability. This addresses the chronic instability of perovskite solar cells, a key barrier to commercialization. • • The dual-interface and bulk co-passivation strategy reduces nonradiative recombination, as evidenced by the high VOC (1.27 V) close to the Shockley-Queisser limit for a 1.7 eV bandgap. This indicates minimized energy losses, which is essential for achieving high efficiency. • • The spatial distribution of (ETP)2SbCl5 components—ETP+ at the buried interface, Sb3+/Cl− in the bulk, and Cl− on the top surface—provides a multi-level defect passivation mechanism. This holistic approach addresses defects at all critical regions, offering a blueprint for future interface engineering in perovskite solar cells.

Abstract

Inorganic perovskite solar cells (IPSCs) have attracted significant attention due to their excellent light and thermal stability and potential in tandem applications. However, their efficiency and stability are often limited by residual lattice stress and defects at interfaces and within the bulk, causing severe nonradiative recombination. Here, we introduce a zero-dimensional supramolecular complex, (ETP)2SbCl5, as a dual-interface and bulk modifier to regulate CsPbI3 film growth. The modifier exhibits spatial segregation: ETP+ cations anchor at the buried interface, passivating defects on TiO2 and perovskite surfaces; Sb3+ and Cl− ions diffuse into the bulk during annealing, relieving residual stress; and Cl− accumulates on the top surface, passivating cation defects. Consequently, the modified CsPbI3 solar cell achieves a power conversion efficiency (PCE) of 21.71% and an open-circuit voltage (VOC) of 1.27 V, retaining 97.4% of initial efficiency after 500 h of maximum power point (MPP) tracking. This work demonstrates a synergistic strategy to simultaneously address interfacial and bulk defects, advancing high-performance and stable inorganic photovoltaics.

1. Introduction

Inorganic CsPbI3 perovskite solar cells (PSCs) have emerged as promising candidates for next-generation photovoltaics due to their superior thermal and light stability compared to organic-inorganic hybrids. However, their power conversion efficiency (PCE) has lagged behind, primarily due to severe nonradiative recombination losses originating from defects at interfaces and within the bulk material. These defects, including undercoordinated ions and lattice strain, act as recombination centers, reducing open-circuit voltage (VOC) and fill factor. Conventional passivation strategies often target only one interface or the bulk, leaving other regions vulnerable, thus limiting overall performance gains.

This work introduces a zero-dimensional supramolecular complex, (ETP)2SbCl5, which uniquely decomposes into spatially-segregated functional species: ETP+ cations anchor at the buried TiO2/perovskite interface, Sb3+ and Cl− ions diffuse into the bulk to relieve lattice stress, and Cl− accumulates on the top surface to passivate cation defects. This 'three birds with one stone' approach simultaneously addresses defects at both interfaces and within the bulk, effectively suppressing nonradiative recombination and energy loss. The resulting CsPbI3 solar cell achieves a PCE of 21.71% and a VOC of 1.27 V, with excellent operational stability, demonstrating a comprehensive solution to the efficiency-stability bottleneck in inorganic PSCs.

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Cite This Research Paper
Na Zhang, Ziwei Xu, Zhou Yang, Lu Zhang, Zihao Fan, Dongfang Xu, Fei Wang, Ningyi Yuan, Jianning Ding, Jian Cui, Zhike Liu (2026). Three birds with one stone: dual-interfaces and bulk co-passivation enable >21% efficiency of CsPbI3 solar cells with VOC of 1.27 V. SCIENCE CHINA Materials. https://doi.org/10.1007/s40843-025-3547-7
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Frequently Asked Questions

What is the specific role of the (ETP)2SbCl5 modifier in passivating defects at different locations within the perovskite film?

The modifier exhibits a unique spatial distribution: ETP+ cations preferentially anchor at the buried interface, passivating defects on both TiO2 and perovskite surfaces. Sb3+ and Cl− ions diffuse into the perovskite bulk during annealing, effectively relieving residual lattice stress. Cl− anions accumulate on the top surface, passivating cation defects. This multi-site passivation collectively reduces nonradiative recombination and improves device performance.

How does the (ETP)2SbCl5 modification affect the long-term operational stability of the CsPbI3 solar cells?

The modified devices retain 97.4% of their initial efficiency after 500 hours of continuous maximum power point (MPP) tracking. This enhanced stability is attributed to the reduced defect density and relieved lattice stress, which mitigate degradation pathways such as ion migration and phase segregation.

What is the impact of the (ETP)2SbCl5 modification on the open-circuit voltage (VOC) and why is it significant?

The modification increases VOC to 1.27 V, which is close to the theoretical maximum for a 1.7 eV bandgap absorber. This high VOC indicates minimized nonradiative recombination losses, which is crucial for achieving high efficiency. The improvement is attributed to effective passivation of interfacial and bulk defects, reducing energy loss.

How does the spatial distribution of the modifier components (ETP+, Sb3+, Cl−) contribute to the overall performance?

The spatial segregation allows targeted passivation: ETP+ at the buried interface improves electron extraction and reduces interfacial recombination; Sb3+ and Cl− in the bulk relieve lattice strain and passivate bulk defects; Cl− on the top surface passivates surface cation defects. This comprehensive approach addresses all major recombination pathways, leading to higher efficiency and stability.

What are the potential scalability and cost implications of using (ETP)2SbCl5 as a modifier in industrial production?

The modifier is a zero-dimensional complex that can be easily synthesized and incorporated into existing solution-processing methods. The process does not require additional complex steps, making it potentially scalable. The improved efficiency and stability could reduce the levelized cost of electricity (LCOE) for perovskite solar cells, enhancing their commercial competitiveness.

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