Applied Surface Science, 585, 152557, May 2022 (IF: 7.392, JCR 2.63%)

 

 

 

 

 

For the first time, we have thoroughly investigated the orientation-dependent tensile mechanical responses of emerging 2D transition-metal carbides, Ti3C2O2 MXenes by using state-of-art reactive MD simulations. We found that despite its highly bonded multi-atom-thick ceramic structure, Ti3C2O2 MXene is remarkably stretchable (11-13%) for all direction with isotropic elastic stiffness, which indicated its promising potential for wearable and flexible device technologies. In contrast to the isotropic elasticity, the mechanical fracture response of Ti3C2O2 MXene is conspicuously anisotropic, exhibiting an unusual characteristic pattern.