Dynamic Chemical Changes of Ti3C2Tx MXenes in Halide Perovskite Precursor Environments

Kirill Sobolev; Nagaprasad Reddy Samala; Mariela J. Pavan; Sharon Hazan; Vladimir Ezersky; Shakked Schwartz; Omer Bartov; Adi Yakir; Michal Leskes; Tamar Goldzak Mizrachi; Yevgeny Rakita

arXiv · 2610.12771

Dynamic Chemical Changes of Ti3C2Tx MXenes in Halide Perovskite Precursor Environments

Kirill Sobolev·Nagaprasad Reddy Samala·Mariela J. Pavan·Sharon Hazan·Vladimir Ezersky·Shakked Schwartz·Omer Bartov·Adi Yakir·Michal Leskes·Tamar Goldzak Mizrachi·Yevgeny Rakita

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Abstract

The integration of two-dimensional Ti3C2Tx MXenes into Halide Perovskite (HaP) optoelectronics has shown immense potential for enhancing device performance, yet the fundamental chemical interactions within the precursor ink (a critical stage determining the final material state) remain largely unexplored. This study presents a comprehensive investigation into the chemical stability and surface evolution of Ti3C2Tx MXenes when exposed to the individual and combined components of a model methylammonium lead iodide (MAPbI3) solution. By combining detailed X-ray Photoelectron Spectroscopy (XPS) analysis with Density Functional Theory (DFT) calculations, we decouple the complex interactions between MXenes and the ink constituents. We demonstrate that elemental iodine (I2) and polyiodides (In-) act as aggressive oxidizers, triggering rapid degradation and dissolution of the MXene flakes. Conversely, lead iodide (PbI2) induces a slower oxidation process driven by the strong adsorption of Pb2+ ions onto oxygen terminated sites. In stark contrast, methylammonium iodide (MAI) exhibits a stabilizing effect: it adsorbs onto the MXene surface via hydrogen bonding, effectively passivating the flakes and retarding degradation. In addition, our results reveal that the sequence of precursor addition governs the MXene surface state, requiring extra caution, but also enabling further tunability. These findings provide a critical view on how MXene integration with materials, in general, and HaP in particular, should be perceived, providing a fundamental for their rational engineering.

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Kirill Sobolev, Nagaprasad Reddy Samala, Mariela J. Pavan, Sharon Hazan, Vladimir Ezersky, Shakked Schwartz, Omer Bartov, Adi Yakir, Michal Leskes, Tamar Goldzak Mizrachi, Yevgeny Rakita. 2026-10-08. Dynamic Chemical Changes of Ti3C2Tx MXenes in Halide Perovskite Precursor Environments. https://arxiv.org/abs/2610.12771

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