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Interfacial shear strength of MXene interfaces
Journal article   Open access   Peer reviewed

Interfacial shear strength of MXene interfaces

Qingqing Zhou, Vinay Maithani, Michael Prati, Stefano Ippolito, Megan A. Creighton, Yury Gogotsi, Sankha Mukherjee and Changhong Cao
Cell reports physical science, v 6(10), 102872
15 Oct 2025
DOI: https://doi.org/10.1016/j.xcrp.2025.102872
url
https://doi.org/10.1016/j.xcrp.2025.102872View
Published, Version of Record (VoR) Open

Abstract

interfacial adhesion and friction interfacial shear strength MXene
Understanding the interfacial shear strength (ISS) of MXenes is essential for improving their mechanical reliability in applications where layered MXene structures experience repeated mechanical loads. The ISS governs the ability of adjacent layers to resist sliding or delamination. This study investigates the ISS and associated interfacial properties of Ti3C2Tx-Ti3C2Tx, Ti3C2Tx-graphene, and Ti3C2Tx-MoS2 interfaces through a combination of friction force microscopy and density functional theory (DFT) calculations. Experimental results show that the Ti3C2Tx-Ti3C2Tx homo-interface demonstrates the strongest interactions, with the highest ISS, coefficient of friction, and adhesion energy, compared to the Ti3C2Tx-graphene and Ti3C2Tx-MoS2 hetero-interfaces. Furthermore, DFT simulations based on experimentally relevant compositions and configurations highlighted the critical influence of surface terminations (including −H, −F, −OH, −O, and −Cl groups) on the interfacial behavior of heterostructures. These findings offer mechanistic insights into the role of surface chemistry in tuning friction and adhesion, providing a foundation for the design of robust MXene-based interfaces. [Display omitted] •Ti3C2Tx homo-interfaces show highest shear strength and adhesion•Surface terminations strongly modulate MXene interfacial mechanics•AFM and DFT reveal chemistry-driven shear interactions in MXenes Zhou et al. investigate the interfacial shear strength of Ti3C2Tx-based MXene interfaces via AFM and DFT. Ti3C2Tx homo-interfaces show the highest shear strength and adhesion, and surface terminations dictate interlayer mechanics. These findings offer mechanistic insights into the role of surface chemistry in tuning friction and adhesion.

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