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Additive Screening for Suppressing Light-Induced Phase Segregation and Ionic Activity in Halide Perovskite Devices.

Saumya Sebastian¹, Xuechao Xing¹, Darrell Jun Jie Tay²

¹School of Materials Science and Engineering (MSE), Nanyang Technological University, 50 Nanyang Avenue, Singapore 639798, Singapore.

ACS Applied Materials & Interfaces

|October 3, 2025

Summary

Additive engineering in mixed halide perovskites suppresses ion migration and phase segregation. Guanidinium iodide and rubidium-based additives show consistent suppression, enhancing device stability.

Keywords:

Ionic migration Light phase segregation Perovskite additives memristors screening

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Area of Science:

Materials Science
Solid-State Chemistry
Device Physics

Background:

Mixed halide perovskites are susceptible to halide segregation under illumination, driven by ion migration.
This instability limits the operational lifetime and performance of perovskite-based devices.
Additive engineering is a key strategy to mitigate ion migration and enhance stability.

Purpose of the Study:

To investigate the efficacy of various additives in suppressing halide segregation in MAPb(Br_xI_1-x)₃.
To understand the influence of different additive chemistries on ionic migration across a compositional gradient.
To correlate additive-induced stability with performance in switchable photovoltaic and memristor devices.

Main Methods:

A high-throughput platform was employed to screen five additives: KI, RbBr, Rb₂CO₃, TBABF₄, and GAI.
The additives' impact on phase segregation across the MAPb(Br_xI_1-x)₃ compositional gradient was analyzed.
Lateral memristors were fabricated to evaluate device performance and ionic migration tendencies.

Main Results:

Certain additives, like tetrafluoroborate and KI, showed selective reduction in ionic migration.
Rubidium-based additives and guanidinium iodide (GAI) consistently suppressed ionic migration across the compositional gradient.
GAI-added memristors exhibited significantly reduced hysteresis (HI = 0.036) compared to KI-added devices (HI = 0.64), indicating suppressed ionic migration.

Conclusions:

Additive selection is crucial for controlling ionic migration and phase stability in mixed halide perovskites.
GAI and rubidium-based additives are effective in suppressing ionic migration, leading to improved device characteristics.
This high-throughput screening approach provides a valuable framework for optimizing perovskite optoelectronic devices, including solar cells and LEDs.