• 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 ...
    • Electro-absorption of silicene and bilayer graphene quantum dots 

      Abdelsalam, H.; Talaat, M.H.; Lukyanchuk, I.; Portnoi, M.E.; Saroka, Vasil (Journal article; Peer reviewed, 2016)
      We study numerically the optical properties of low-buckled silicene and AB-stacked bilayer graphene quantum dots subjected to an external electric field, which is normal to their surface. Within the tight-binding model, ...
    • Electro-optical properties of phoshorene quantum dots 

      Saroka, Vasil; Lukyanchuk, I.; Portnoi, M.E.; Abdelsalam, H. (Journal article; Peer reviewed, 2017)
      We study electronic and optical properties of single layer phosphorene quantum dots with various shapes, sizes, and edge types (including disordered edges) subjected to an external electric field normal to the structure ...
    • 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 ...
    • Multilayer phosphorene quantum dots in an electric field: Energy levels and optical absorption 

      Abdelsalam, H.; Saroka, Vasil; Lukyanchuk, I.; Portnoi, M.E. (Journal article; Peer reviewed, 2018)
      Triangular and hexagonal multilayer phosphorene quantum dots with armchair and zigzag terminations are investigated with the orthogonal tight-binding model. The effect of increasing the number of layers is revealed. The ...
    • 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 ...
    • Stability and electronic properties of edge functionalized silicene quantum dots: A first principles study 

      Abdelsalam, H.; Saroka, Vasil; Ali, M.; Teleb, N.H.; Elhaes, H.; Ibrahim, M.A. (Journal article; Peer reviewed, 2019)
      The stability and electronic properties of hexagonal and triangular silicene quantum dots are investigated under the effect of edge passivation by different elements and molecular groups. The structures experience a ...
    • 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 ...