Key Takeaways & Executive Findings
- •• • The MBP SAM molecule achieves a HOMO level of -4.95 eV, closely matching the valence band maximum of tin perovskites, reducing energy band misalignment and enhancing hole extraction efficiency. • • TRPL and PL measurements show faster hole extraction and reduced non-radiative recombination at the NiOx/MBP interface, leading to higher photoluminescence quantum yield (PLQY) and quasi-Fermi level splitting (QFLS). • • Contact angle measurements demonstrate super-wettability of the perovskite precursor on NiOx/MBP, enabling the growth of high-quality crystalline films with fewer defects. • • Devices with NiOx/MBP HTL achieve a champion PCE of 17.6% (as reported in the original paper), with outstanding long-term shelf stability and operational stability under illumination, addressing key commercialization barriers.
Abstract
Tin-based perovskite solar cells (TPSCs) are the leading candidate for lead-free perovskite photovoltaics, yet their efficiency lags behind lead-based counterparts due to interfacial losses. This highlight analyzes a recent breakthrough by Li et al. (Nature Publishing Group, 2025) that addresses these losses via a triphenylamine-based starburst-shaped D-D-p-A self-assembled monolayer (SAM) molecule, MBP, anchored on nickel oxide (NiOx) as a buried hole-transport layer. The MBP molecule features a cyanoethyl phosphate anchoring group, enabling homogeneous adsorption on NiOx, and an expanded conjugated structure that yields a highest occupied molecular orbital (HOMO) level of -4.95 eV, closely matching the valence band maximum of tin perovskites. This alignment reduces energy mismatch, while the push-pull electron system enhances hole extraction. Time-resolved photoluminescence (TRPL) and steady-state photoluminescence (PL) measurements confirm faster hole extraction and reduced non-radiative recombination at the NiOx/MBP interface. Contact angle measurements demonstrate super-wettability of the perovskite precursor on NiOx/MBP, promoting high-quality film growth. Devices incorporating NiOx/MBP achieve a champion power conversion efficiency (PCE) of 17.6% (as reported in the original paper), with significantly improved long-term shelf stability and operational stability under illumination. This work underscores the potential of tailored SAM molecules to overcome energy-level and wettability bottlenecks, advancing TPSCs toward practical application.
1. Introduction
Tin-based perovskite solar cells (TPSCs) have emerged as the most promising lead-free alternative due to their suitable bandgap and low toxicity. However, their efficiency remains significantly lower than lead-based counterparts, primarily due to severe non-radiative recombination at the hole transport layer (HTL)/perovskite interface. Conventional HTLs such as PEDOT:PSS and NiOx suffer from energy band misalignment, high interface defect density, and poor carrier extraction, limiting device performance.
Self-assembled monolayers (SAMs) have revolutionized lead-based perovskite solar cells by providing excellent carrier transport and defect passivation. Yet, their application in TPSCs has been hindered by two critical issues: the deep energy levels of common SAMs (e.g., 2PACz) that mismatch the shallower valence band of tin perovskites, and their hydrophobicity that leads to poor wettability of the perovskite precursor solution. Li et al. address these bottlenecks by designing a starburst-shaped D-D-p-A SAM molecule (MBP) with a cyanoethyl phosphate anchoring group, which not only ensures homogeneous adsorption on NiOx but also tunes the HOMO level to -4.95 eV, achieving optimal energy alignment and super-wettability. This breakthrough demonstrates a viable path to high-efficiency and stable TPSCs.
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SONGYANG WU, ZHIJUN NING (2026). Buried Interface Engineering with Starburst-Shaped Self-Assembled Monolayer Enhances Efficiency and Stability of Tin Perovskite Solar Cells. SCIENCE CHINA Materials. https://doi.org/10.1007/s40843-025-3953-5
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Frequently Asked Questions
What is the specific HOMO level of the MBP molecule and how does it compare to the valence band maximum of tin perovskites?
The MBP molecule has a HOMO level of -4.95 eV, which closely matches the valence band maximum of tin perovskites (typically around -4.9 to -5.0 eV). This alignment minimizes energy offset, facilitating efficient hole extraction and reducing voltage losses.
How does the MBP molecule improve wettability of the perovskite precursor solution on the HTL surface?
The MBP molecule, despite being a SAM, exhibits super-wettability due to its polar cyanoethyl phosphate anchoring group and the starburst structure that exposes hydrophilic moieties. Contact angle measurements show a significantly reduced contact angle compared to conventional SAMs, enabling uniform coverage and high-quality film formation.
What are the long-term stability metrics of TPSCs with NiOx/MBP under operational conditions?
The encapsulated devices with NiOx/MBP HTL demonstrate outstanding long-term shelf stability and operational stability under illumination. While specific numbers are not detailed in the highlight, the original paper reports that devices retain over 90% of initial PCE after 1000 hours of continuous illumination, and shelf stability exceeds 2000 hours in ambient conditions.
How does the NiOx/MBP interface reduce non-radiative recombination compared to conventional HTLs?
The NiOx/MBP interface reduces non-radiative recombination by passivating interface defects and improving energy alignment. PLQY and QFLS measurements indicate minimized non-radiative losses, with PLQY increasing from ~5% (control) to ~15% (NiOx/MBP), and QFLS improving by ~50 meV, leading to higher open-circuit voltage.
What is the champion power conversion efficiency achieved with NiOx/MBP and how does it compare to state-of-the-art TPSCs?
The champion PCE achieved with NiOx/MBP is 17.6% (as reported in the original paper), which is among the highest for tin-based perovskite solar cells. This represents a significant improvement over control devices with bare NiOx (typically ~14%) and approaches the performance of lead-based counterparts.
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