A. Bafekry

Shahid Beheshti University — IR

Materials Science · Physical Sciences

49h-index4.9kcitations99works37.12yr avg
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Research Topics

2D Materials and Applications(85), MXene and MAX Phase Materials(48), Graphene research and applications(45), Boron and Carbon Nanomaterials Research(18), ZnO doping and properties(12)

Publications99 total

Effects of vacancy defects and atomic doping on the electronic and magnetic properties of puckered penta-like PdPSe monolayer: an <i>Ab initio</i> study
Journal of Physics Condensed Matter·2024· 7 cited
Investigating the Stable Structures and Topological Insulator Characteristics of Honeycomb AuTe Monolayer Through Decorating with Alkali Metal Atoms, as well as the Effects of Strain and Layering: a First‐Principle Study
Advanced Theory and Simulations·2024· 8 cited
Electronic Performance and Schottky Contact of 2D GeH/InSe and GeH/In<sub>2</sub>Se<sub>3</sub> Heterostructures: Strain Engineering and Electric Field Tunability
Advanced Theory and Simulations·2024· 58 citedOpen Access
Layered conjugated porous fused aromatic network structures of two-dimensional carbon nitride: a first-principles calculation of optoelectronic properties
Applied Physics A·2024· 29 cited
Surface modification of XSe (X = Cu and Ag) monolayers by grope 1 elements: A metal to semiconductor transition by a first-principles perspective
Scientific Reports·2024· 68 citedOpen Access
Controlling the Electro-Optical Properties of an AlSb Monolayer with a DLHC Structure through Phosphorus Alloying: A DFT Study
The Journal of Physical Chemistry C·2024· 22 cited
Metal to semiconductor switching in the AgTe monolayer <i>via</i> decoration with alkali metal and alkaline earth metal atoms: a first-principles perspective
Physical Chemistry Chemical Physics·2024· 68 cited
Reply to the ‘Comment on “Two-dimensional penta-like PdPSe with a puckered pentagonal structure: a first-principles study”’ by S. Chowdhury, F. Shojaei and B. Mortazavi, <i>Phys. Chem. Chem. Phys.</i>, 2023, <b>25</b>, DOI: 10.1039/D2CP01587K
Physical Chemistry Chemical Physics·2023· 3 cited
Theoretical prediction of two-dimensional BC2X (X = N, P, As) monolayers: ab initio investigations
Scientific Reports·2022· 91 citedOpen Access
Quantum conductance of MoS$$_2$$ armchair strained nanoribbons: a theoretical study
Applied Physics A·2022· 1 cited
In silico study of adsorption of oxide gases by MN4 (M = Be, Mg) monolayers
Applied Surface Science·2022· 24 cited
Strain modulated electronic and optical properties of laterally stitched MoSi2N4/XSi2N4 (X=W, Ti) 2D heterostructures
Physica E Low-dimensional Systems and Nanostructures·2022Open Access
Strain Modulated Electronic and Optical Properties of Laterally Stitched MoSi2N4/XSi2N4 (X=W, Ti) 2D Heterostructures
arXiv (Cornell University)·2022· 27 citedOpen Access
Response to "Comment on 'A novel two-dimensional boron-carbon-nitride (BCN) monolayer: A first-principles insight [J. Appl. Phys. 2021, 130, 114301]'"
arXiv (Cornell University)·2022Open Access
Response to Comment on (Novel two-dimensional porous graphitic carbon nitride C6N7 monolayer: A First-principle calculations [Appl. Phys. Lett. 2021, 119, 142102])
arXiv (Cornell University)·2022Open Access
Erratum: “Two-dimensional porous graphitic carbon nitride C6N7 monolayer: First-principles calculations” [Appl. Phys. Lett. <b>119</b>, 142102 (2021)]
Applied Physics Letters·2022· 3 citedOpen Access
Puckered Penta-like PdPX (X = O, S, Te) Semiconducting Nanosheets: First-Principles Study of the Mechanical, Electro-Optical, and Photocatalytic Properties
ACS Applied Materials & Interfaces·2022· 81 cited
Theoretical prediction of two-dimensional BC2 X (X=N, P, As) monolayers: Ab initio investigations
Research Square (Research Square)·2022· 1 citedOpen Access
Two-dimensional XY monolayers (X = Al, Ga, In; Y = N, P, As) with a double layer hexagonal structure: A first-principles perspective
Applied Surface Science·2022· 77 cited
Tunable electronic properties of porous graphitic carbon nitride (C<mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML" display="inline" id="d1e1580" altimg="si87.svg"><mml:msub><mml:mrow/><mml:mrow><mml:mn>6</mml:mn></mml:mrow></mml:msub></mml:math>N<mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML" display="inline" id="d1e1588" altimg="si88.svg"><mml:msub><mml:mrow/><mml:mrow><mml:mn>7</mml:mn></mml:mrow></mml:msub></mml:math>) monolayer by atomic doping and embedding: A first-principle study
Applied Surface Science·2022· 57 cited
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Frequent Co-authors

Mitra Ghergherehchi(37), Mehrdad Faraji(25), Mohamed M. Fadlallah(23), Hamad Rahman Jappor(21), D. Gogova(15), Catherine Stampfl(11), S. Farjami Shayesteh(9), F. M. Peeters(9), S. A. H. Feghhi(9), Nguyen N. Hieu(7), I. Abdolhosseini Sarsari(7), S. Karbasizadeh(6), Mohammed M. Obeid(4), Chương V. Nguyen(4), Ali Abdolahzadeh Ziabari(4), Mosayeb Naseri(4), D.M. Hoat(4), Masoud Shahrokhi(4), Aamir Shafique(4), Berna Akgenç(4)