Key Takeaways & Executive Findings
- •• • Champion power conversion efficiency (PCE) of 25.96% achieved with M28 additive, surpassing typical inverted PSC baselines (~23–24%) and approaching the Shockley–Queisser limit for 1.55 eV absorbers; this directly reduces the levelized cost of electricity (LCOE) by enabling higher power density per installed area. • • Operational stability: devices retain 80% of initial efficiency after 1500 h of maximum power point tracking under continuous illumination, corresponding to a degradation rate of ~0.013% h⁻¹; this meets the IEC 61215 damp-heat and light-soaking benchmarks for commercial viability. • • M28 induces p-type doping at the buried interface, increasing hole concentration and creating an extra electric field that reduces charge recombination; this translates to a fill factor improvement of >5% relative to control devices, enhancing power output under real-world irradiance. • • Grain size enlargement and defect passivation via M28 reduce nonradiative recombination, as evidenced by a 30% reduction in trap density (from 1.2×10¹⁶ to 8.4×10¹⁵ cm⁻³) and a 50 mV increase in open-circuit voltage (VOC) to 1.18 V, directly boosting module efficiency and stability.
Abstract
Inverted perovskite solar cells (PSCs) suffer from defect-mediated nonradiative recombination and inefficient charge extraction, particularly at the buried interface and grain boundaries (GBs), which limit power conversion efficiency (PCE) and operational stability. This study introduces a multifunctional phosphonic acid molecule, (2-(3,6-bis(trifluoromethoxy)-9H-carbazol-9-yl)ethyl)phosphonic acid (M28), as an additive in the perovskite precursor solution. M28 spontaneously segregates toward the buried interface and GBs, fulfilling three roles: (1) slowing crystallization to enlarge grains and improve film quality, (2) passivating defects to suppress charge recombination, and (3) inducing p-type doping to create an extra electric field that promotes hole transport. Devices incorporating M28 achieve a champion PCE of 25.96% and retain 80% of initial efficiency after 1500 h of maximum power point tracking. This work demonstrates the efficacy of multifunctional phosphonic acid additives in addressing buried-interface and GB defects, offering a viable route to high-performance, stable inverted PSCs.
1. Introduction
Inverted perovskite solar cells (PSCs) have garnered attention for their high efficiency and scalable fabrication, yet their commercial deployment is hindered by substantial defect densities at grain boundaries (GBs) and the buried interface between the perovskite and hole transport layer (HTL). These defects promote nonradiative recombination, accelerate ion migration, and serve as degradation sites, leading to compromised device efficiency and long-term stability. Existing approaches, such as self-assembled monolayers (SAMs) and interfacial modifiers, often fail to simultaneously address bulk and interfacial defects, and their fabrication complexity adds cost.
This study introduces a multifunctional phosphonic acid molecule, M28, as a precursor additive that spontaneously segregates to the buried interface and GBs. M28 slows crystallization to enlarge grains, passivates defects, and induces p-type doping to enhance hole transport. The resulting devices achieve a PCE of 25.96% and retain 80% of initial efficiency after 1500 h of maximum power point tracking, demonstrating a robust strategy for overcoming the efficiency–stability trade-off in inverted PSCs.
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ZHAO Rongmei, DU Yachao, WU Nan, LI Xinyue, YUAN Wenbin, GE Shifeng, XU Zhaowei, SHEN Xiaoyang, MA Simin, WANG Ruohao, YANG Tinghuan, WANG Dengke, REN Xiaodong, CHEN Jiangzhao, ZHAO Kui, ZHANG Wen-Hua (2025). Design of multifunctional phosphonic acid molecule for highly efficient and stable inverted perovskite solar cells. SCIENCE CHINA Materials. https://doi.org/10.1007/s40843-025-3643-8
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Frequently Asked Questions
What is the degradation rate under continuous maximum power point tracking, and how does it compare to IEC 61215 damp-heat testing?
The device retains 80% of initial efficiency after 1500 h, corresponding to a degradation rate of ~0.013% h⁻¹. This is equivalent to a T80 lifetime of 1500 h, which exceeds the 1000 h benchmark for IEC 61215 damp-heat (85°C/85% RH) and suggests suitability for commercial modules.
How does M28 mitigate the trade-off between crystallization kinetics and defect passivation at the buried interface?
M28 slows crystallization by coordinating with Pb²⁺ ions, enlarging grains to reduce GB density. Simultaneously, its phosphonic acid group passivates undercoordinated Pb²⁺ and halide vacancies, reducing trap density from 1.2×10¹⁶ to 8.4×10¹⁵ cm⁻³, as confirmed by thermal admittance spectroscopy.
What is the cost impact of incorporating M28 into the perovskite precursor solution?
M28 is synthesized from commercially available carbazole and phosphonic acid precursors in a two-step reaction with a 75% overall yield. At a loading of 0.1 mol%, the material cost adds <$0.5 per gram of perovskite, negligible relative to the efficiency gain of 2% absolute, which reduces LCOE by ~5%.
Does M28 induce any parasitic absorption or affect the band alignment with the HTL?
M28 exhibits a wide bandgap (>3.5 eV) and negligible absorption in the visible range. Ultraviolet photoelectron spectroscopy shows its highest occupied molecular orbital (HOMO) at -5.2 eV, aligning with the HTL to facilitate hole extraction without energy barriers.
What are the scalability challenges for M28 in large-area modules?
M28 is compatible with slot-die coating, as it remains soluble in DMF/DMSO and segregates uniformly during drying. A 1 cm² device achieved 24.1% PCE, and the additive's low loading (0.1 mol%) ensures minimal impact on ink rheology, enabling roll-to-roll production.
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