Browsing by Subject DFT
Showing results 1 to 3 of 3
| Issue Date | Title | Author(s) |
| 2020 | Adsorption of lead on the surfaces of pristine and B, Si and N-doped graphene | Kuganathan, N.; Anurakavan, S.; Abiman, P.; Iyngaran, P.; Gkanas, E.I.; Chroneos, A. |
| 2019 | Defects, Diffusion, and Dopants in Li2Ti6O13: Atomistic Simulation Study | Kuganathan, N.; Sashikesh, G.; Chroneos, A. |
| 2021 | Encapsulation and Adsorption of Halogens into Single-Walled Carbon Nanotubes | Kuganathan, N.; Sashikesh, G. |