Browsing NTNU Open by Author "Younis, W.O."
Now showing items 1-5 of 5
-
Edge functionalization of finite graphene nanoribbon superlattices
Abdelsalam, H.; Saroka, Vasil; Younis, W.O. (Journal article; Peer reviewed, 2019)The effect of chemical functionalization on the electronic properties of graphene nanoribbon superlattices with zigzag and armchair terminations is investigated using the density functional theory. The calculated positive ... -
Electronic and adsorption properties of extended chevron and cove-edged graphene nanoribbons
Abdelsalam, H.; Saroka, Vasil; Teleb, N.; Ali, M.; Younis, W.O.; Zhang, Q. (Peer reviewed; Journal article, 2021)The electronic and adsorption properties of chevron and cove-edged graphene nanoribbons (GNRs) are studied using first principles calculations. The positive binding and adsorption energies in conjunction with the positive ... -
Interaction of hydrated metals with chemically modified hexagonal boron nitride quantum dots: wastewater treatment and water splitting
Abdelsalam, H.; Younis, W.O.; Saroka, Vasil; Teleb, N.; Yunoki, S.; Zhang, Q. (Journal article; Peer reviewed, 2020)The electronic and adsorption properties of chemically modified square hexagonal boron nitride quantum dots are investigated using density functional theory calculations. The free energy and frequency calculations show ... -
Phosphorene quantum dot electronic properties and gas sensing
Abdelsalam, H.; Saroka, Vasil; Younis, W.O. (Journal article; Peer reviewed, 2019)Density functional theory calculations are performed on phosphorene quantum dots having different shapes and edge terminations to investigate their structure stability, electronic properties, and gas sensing ability. All ... -
Tunable electro-optical properties of doped chiral graphene nanoribbons
Abdelsalam, H.; Saroka, Vasil; Atta, M. M.; Younis, W.O.; Zhang, Q. (Peer reviewed; Journal article, 2021)The electro-optical properties of doped chiral graphene nanoribbons are investigated using first principles calculations. O-atoms on edges enhance edge reconstruction with strong C=C bonds that increase the binding energy ...