Atomistic Study of the Bandgap Engineering of Two-Dimensional Silicon Carbide by Hydrogenation
This work studied hydrogen adsorption by a two-dimensional silicon carbide using a combined molecular dynamics and density functional theory approach. The geometrical properties of partially and fully hydrogenated structures were investigated, considering the effect of zero-point energy. The preferr...
| Main Authors: | , , , , , |
|---|---|
| Format: | Article |
| Published: |
ACS Publications
2023
|
| Subjects: | |
| Online Access: | http://eprints.intimal.edu.my/1827/ |