Electronic and vibrational properties ofV2C-based MXenes: From experiments to first-principles modeling

In the present work, the electronic and vibrational properties of both pristine ${\mathrm{V}}_{2}\mathrm{C}$ and fully terminated ${\mathrm{V}}_{2}\mathrm{C}{T}_{2}$ (where $T=\mathrm{F},$ O, OH) two-dimensional monolayers are investigated using density functional theory. First, the atomic structure... View More