Loading...
Search for:
titania-carbide-mxenes
0.005 seconds
Mechanical behaviors of titanium nitride and carbide MXenes: A molecular dynamics study
, Article Applied Surface Science ; Volume 566 , 2021 ; 01694332 (ISSN) ; Esfandiar, A ; Rajabpour, A ; Sharif University of Technology
Elsevier B.V
2021
Abstract
MXenes have recently witnessed significant evolution and advances in terms of their applications in different areas such as flexible electronics, energy storage devices, and coatings. Here, the mechanical properties of both pristine and functionalized Tin+1CnO2 and Tin+1NnO2 (n = 1, 2) are investigated utilizing classical molecular dynamics simulations. For eight different MXene structures, the stress-strain curves are calculated including Young's modulus, strength, and fracture strain. It is found that Ti2N holds the highest Young's modulus with the value of 517 GPa while Ti3C2 has the lowest one with the amount of 133 GPa. In addition, the strongest MXene structure is Ti2N while the...