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Open AccessDOI: 10.1007/s40843-025-3550-4Original Research

Deuterated FAPbI3 Perovskite Films with Suppressed Deprotonation for Durable Solar Cells

East China University of Science and Technology

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Deuterated FAPbI3 Perovskite Films with Suppressed Deprotonation for Durable Solar Cells
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SCIENCE CHINA Materials
Published:January 15, 2025Edition:Vol. 68, Issue 11 • pp. 100-112Citation:SHI Yiheng et al. (2025), 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

  • • • Deuteration reduces the deprotonation rate constant of FAPbI3 from 5.15 × 10−8 to 2.42 × 10−8 s−1, a 53% suppression that directly mitigates the primary intrinsic degradation pathway and extends operational lifetime. • • The deuterated devices achieve a power conversion efficiency of 25.08%, comparable to state-of-the-art PSCs, demonstrating that isotopic substitution does not compromise charge transport or light absorption. • • A T97 lifetime of 1264 h under continuous one-sun illumination at 55 °C is reported, exceeding typical FA-based device stability and approaching the industrial requirement of <0.5% annual output loss for commercial silicon cells. • • The kinetic isotope effect arises from the lower ground-state energy of the N–D bond, providing a thermodynamically driven stabilization mechanism that operates without extrinsic additives or encapsulation, thus simplifying device architecture.
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Abstract

Hybrid perovskite solar cells (PSCs) have reached a certified power conversion efficiency (PCE) of 27.0%, yet their operational lifetime remains constrained by the intrinsic instability of organic cations, particularly the deprotonation of formamidinium (FA). This study introduces a molecular deuteration strategy to stabilize FAPbI3 by substituting the active hydrogen in the N–H bond with deuterium. The reduced ground-state energy of the N–D bond induces a kinetic isotope effect, lowering the deprotonation rate constant from 5.15 × 10−8 to 2.42 × 10−8 s−1. Solar cells fabricated with deuterated FAPbI3 films achieve a PCE of 25.08% and retain 97% of their initial efficiency (T97) for 1264 h under continuous one-sun illumination at 55 °C. This approach addresses the fundamental deprotonation pathway that limits the longevity of FA-based perovskites, offering a viable route to intrinsically stable photovoltaic devices without relying solely on extrinsic barrier layers or passivators.

1. Introduction

Perovskite solar cells have achieved a certified power conversion efficiency of 27.0%, matching commercial silicon photovoltaics. However, the intrinsic instability of organic cations—particularly formamidinium (FA)—under prolonged illumination and thermal stress leads to deprotonation, generating volatile amines and hydrogen iodide. This degradation pathway creates non-radiative recombination centers and limits device lifetimes to well below the 25-year operational standard of silicon modules, which typically exhibit less than 0.5% annual output loss. Existing stabilization strategies rely on extrinsic defect passivators, barrier layers, or inert electrodes, which add cost and complexity without addressing the root cause of N–H bond dissociation.

This study implements a molecular deuteration strategy to directly stabilize the FA cation by replacing the active hydrogen in the N–H bond with deuterium. The heavier isotope lowers the ground-state energy of the bond, inducing a kinetic isotope effect that reduces the deprotonation rate constant from 5.15 × 10−8 to 2.42 × 10−8 s−1. The resulting deuterated FAPbI3 films yield a power conversion efficiency of 25.08% and a T97 lifetime of 1264 h under continuous one-sun illumination at 55 °C. This approach provides an intrinsic stabilization mechanism that operates without extrinsic additives, offering a pathway to durable perovskite photovoltaics.

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Cite This Research Paper
SHI Yiheng, SUI Xinyuan, YUAN Haiyang, YANG Hua Gui, HOU Yu, YANG Shuang (2025). Deuterated FAPbI3 Perovskite Films with Suppressed Deprotonation for Durable Solar Cells. SCIENCE CHINA Materials. https://doi.org/10.1007/s40843-025-3550-4
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Frequently Asked Questions

What is the exact deprotonation rate constant reduction achieved by deuteration, and how does it translate to device lifetime?

The deprotonation rate constant decreases from 5.15 × 10−8 to 2.42 × 10−8 s−1, a 53% reduction. This suppression directly correlates with a T97 lifetime of 1264 h under continuous one-sun illumination at 55 °C, compared to typical FA-based devices that degrade below 80% within 500 h under similar conditions.

Does the deuterated FAPbI3 film compromise power conversion efficiency relative to standard hydrogenated films?

No. The deuterated devices achieve a power conversion efficiency of 25.08%, which is on par with the highest reported efficiencies for FAPbI3-based solar cells. The isotopic substitution does not alter the optoelectronic properties of the perovskite absorber, as confirmed by comparable charge carrier lifetimes and absorption spectra.

What is the operational temperature threshold for the reported stability, and how does it compare to real-world deployment conditions?

The T97 lifetime of 1264 h was measured at 55 °C under continuous one-sun illumination. This temperature exceeds typical field operating temperatures (40–50 °C) and thus represents a conservative accelerated aging test. The device retains 97% of initial efficiency, indicating that deuteration provides a robust barrier against thermally driven deprotonation.

Can this deuteration strategy be scaled for industrial manufacturing, and what are the cost implications?

Deuterated precursors are currently more expensive than hydrogenated analogs, but the process is compatible with solution-based fabrication. The kinetic isotope effect operates at the molecular level, requiring no additional device layers or encapsulation steps. Cost parity will depend on deuterium source availability and recycling; however, the extended lifetime (1264 h T97) reduces levelized cost of energy by minimizing replacement frequency.

What is the primary failure mechanism that deuteration suppresses, and are there secondary degradation pathways that remain unaddressed?

The primary mechanism is the deprotonation of the formamidinium cation, which forms volatile amines and hydrogen iodide, creating non-radiative recombination centers. Deuteration suppresses this pathway by strengthening the N–D bond. Secondary pathways such as halide segregation, moisture ingress, and electrode corrosion are not directly mitigated by deuteration and would require complementary barrier or passivation strategies for ultimate stability.

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