Electron conductivity in graphene quantum dot by DFT

This research provides insights into how the structural characteristics of GQDs, such as shape, edge type, influence their electronic properties, particularly the band gap. These findings have implications for the design and optimization of GQDs for various applications, including electronic devices and energy storage. The shape and edge type significantly influence the band gap of GQDs. Armchair edges generally lead to larger band gaps compared to zigzag edges.

کلیدواژه ها:

Graphene quantum dots ، Density functional theory ، shape and edge ، band gap energy