256 citations · 567 across the 14 of their papers we have counts for
14 papers
Response to "Comment on 'A novel two-dimensional boron-carbon-nitride (BCN) monolayer: A first-principles insight [J. Appl. Phys. 2021, 130, 114301]'"
Asadollah Bafekry, Mosayeb Naseri, Mohamed M. Fadlallah +5
Recently, reported a comments on the our paper [JAP21-AR-03574R].. For clarification, we applied the fingerprint theory to examine the similarity between the distinct structures. T…
Response to Comment on (Novel two-dimensional porous graphitic carbon nitride C6N7 monolayer: A First-principle calculations [Appl. Phys. Lett. 2021, 119, 142102])
Asadollah Bafekry, Mehrdad Faraji, Mohamed M. Fadlallah +4
Recently, reported a comments on the our paper [Appl. Phys. Lett. 119, 142102 (2021)]. With our response, the APL journal rejected their non scientific comments. There are some amb…
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…
MoSi2N4 single-layer: a novel two-dimensional material with outstanding mechanical, thermal, electronic, optical, and photocatalytic properties
A. Bafekry, M. Faraji, Do M. Hoat +5
Very recently, the two-dimensional (2D) form of MoSi2N4 has been successfully fabricated [Hong et al., Sci. 369, 670 (2020)]. Motivated by theses recent experimental results, herei…
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…
Cation mono- and co-doped anatase TiO nanotubes: An {\em ab initio} investigation of electronic and optical properties
Mohamed M. Fadlallah, Ulrich Eckern
The structural, electronic, and optical properties of metal (Si, Ge, Sn, and Pb) mono- and co-doped anatase TiO nanotubes are investigated, in order to elucidate their potent…
Doping of large-pore crown graphene nanomesh
Mohamed S. Eldeeb, Mohamed M. Fadlallah, Glenn J. Martyna +1
Porous graphene structures, also termed graphene nanomeshes (GNMs), are garnering increasing interest due to their potential application to important technologies such as chemical…
Unravelling the interplay of geometrical, magnetic and electronic properties of metal-doped graphene nanomeshes
Mohamed M. Fadlallah, Ahmed A. Maarouf, Udo Schwingenschlögl +1
Graphene nanomeshes (GNMs), formed by creating a superlattice of pores in graphene, possess rich physical and chemical properties. Many of these properties are determined by the po…
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…
Adsorption of Sugars on Al- and Ga-doped Boron Nitride Surfaces: A Computational Study
Ahmed A. Darwish, Mohamed M. Fadlallah, Ashraf Badawi +1
Molecular adsorption on surfaces is a key element for many applications, including sensing and catalysis. Non-invasive sugar sensing has been an active area of research due to its…
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…
Electronic transport calculations for rough interfaces in Al, Cu, Ag, and Au
M. M. Fadlallah, C. Schuster, U. Schwingenschloegl +2
We present results of electronic structure and transport calculations for metallic interfaces, based on density functional theory and the non-equilibrium Green's functions method.…