123 citations · 195 across the 5 of their papers we have counts for
6 papers
Two-dimensional pentagonal material Penta-PdPSe: A first-principle study
A. Bafekry, M. M. Fadlallah, M. Faraji +5
Low-symmetry Penta-PdPSe with intrinsic in-plane anisotropy synthesized successfully [(P. Li et al., Adv. Mater., 2102541, (2021)]. Motivated by this experimental discovery, we inv…
Biphenylene monolayer as a two-dimensional nonbenzenoid carbon allotrope: A first-principles study
A. Bafekry, M. Faraji, M. M. Fadlallah +4
In a very recent accomplishment, the two-dimensional form of Biphenylene network (BPN) has been successfully fabricated [Fan et al., Science, 372, 852-856 (2021)]. Motivated by thi…
Effect of pore-size disorder on the electronic properties of semiconducting graphene nanomeshes
Sarah Gamal, Mohamed M. Fadlallah, Lobna M. Salah +1
Graphene nanomeshes (GNMs) are novel materials that recently raised a lot of interest. They are fabricated by forming a lattice of pores in graphene. Depending on the pore size and…
Electronic and optical properties of metal-doped TiO nanotubes: Spintronic and photocatalytic applications
Mohamed M. Fadlallah, Ulrich Eckern
Due to their characteristic geometry, TiO nanotubes (TNTs), suitably doped by metal-substitution to enhance their photocatalytic properties, have a high potential for applicati…
Defect engineering of the electronic transport through cuprous oxide interlayers
Mohamed M. Fadlallah, Ulrich Eckern, Udo Schwingenschlögl
The electronic transport through Au-(CuO)-Au junctions is investigated using first-principles calculations and the nonequilibrium Green's function method. The effect of v…
Magnetic, electronic and vibrational properties of metal and fluorinated metal phthalocyanines
O. I. Arillo-Flores, M. M. Fadlallah, C. Schuster +2
The magnetic and electronic properties of metal phthalocyanines (MPc) and fluorinated metal phthalocyanines (FMPc) are studied by means of spin density functional theory (SD…