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MXene Structures
We determined the mechanical properties of both pristine and functionalized Tin+1CnO2 and Tin+1NnO2 (n = 1, 2) utilizing classical molecular dynamics simulations. For eight different MXene structures, the stress-strain curves are calculated including Young’s modulus, strength, and fracture strain.
The effect of vacancy is probed on Young’s modulus and a linear correlation is presented versus the defect concentration for Ti2N structure.
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