Dynamic Chemical Changes of Ti3C2Tx MXenes in Halide Perovskite Precursor Environments

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.

Coupling Evaporation, Chemical Reactions, and Crystallization: A Population-Balance Framework Applied to Two-Step Perovskite Crystallization
K. Segadlo, O. J. J. Ronsin, J. Harting
arXiv19 Oct 2026PreprintCC BY 4.0Full textPhysical chemistry Applied physics & instrumentationarXiv
Material chemical composition impacts on the band alignments: preliminary results on the 3D/2D perovskite interfaces
Philippe Baranek
arXiv21 Sep 2026PreprintarXiv licenceFull textCondensed matterarXiv
Mechano-chemical control of enzymatic activity in crowded environments
Michalis Chatzittofi, Luca Cocconi, Jakob Metson +1
arXiv2 Nov 2026PreprintCC BY 4.0Full textCondensed matter Statistical & nonlinear physicsarXiv
Epitaxial growth of WO3 on r-plane sapphire by hot-filament metal-oxide deposition using CO2 as a precursor
Laurent Souqui, Lewis J. Adams, Andreas Tsampanakis +2
arXiv8 Oct 2026PreprintCC BY 4.0Full textCondensed matterarXiv
Macroscopic simulations of thin film wetting/dewetting using a precursor film model
Xi-Hu Wu, Zhuo Long, Xue-Li Wang +1
arXiv1 Sep 2026PreprintarXiv licenceFull textFluid dynamicsarXiv

Cite

BibTeX RIS

BibTeX

@misc{sobolev2026dynamic,
  title = {{Dynamic Chemical Changes of Ti3C2Tx MXenes in Halide Perovskite Precursor Environments}},
  author = {Kirill Sobolev and Nagaprasad Reddy Samala and Mariela J. Pavan and Sharon Hazan and Vladimir Ezersky and Shakked Schwartz and Omer Bartov and Adi Yakir and Michal Leskes and Tamar Goldzak Mizrachi and Yevgeny Rakita},
  howpublished = {arXiv},
  year = {2026},
  month = oct,
  doi = {10.48550/arxiv.2610.12771},
  eprint = {2610.12771},
  archivePrefix = {arXiv},
  url = {https://arxiv.org/abs/2610.12771},
  note = {CC BY 4.0},
}

RIS

TY  - UNPB
TI  - Dynamic Chemical Changes of Ti3C2Tx MXenes in Halide Perovskite Precursor Environments
AU  - Kirill Sobolev
AU  - Nagaprasad Reddy Samala
AU  - Mariela J. Pavan
AU  - Sharon Hazan
AU  - Vladimir Ezersky
AU  - Shakked Schwartz
AU  - Omer Bartov
AU  - Adi Yakir
AU  - Michal Leskes
AU  - Tamar Goldzak Mizrachi
AU  - Yevgeny Rakita
PY  - 2026
DA  - 2026/10/08
PB  - arXiv
DO  - 10.48550/arxiv.2610.12771
UR  - https://arxiv.org/abs/2610.12771
AB  - 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.
ER  -

Abstract

Related

Cite