| Issue Date | Title | Author(s) |
| 2021 | Ab Initio Prediction of Semiconductivity in a Novel Two-Dimensional Sb2x3 (x= S, Se, Te) Monolayers With Orthorhombic Structure | Bafekry, A.; Mortazavi, B.; Faraji, M.; Shahrokhi, M.; Shafique, A.; Jappor, H. R.; Feghhi, S. A. H. |
| 2022 | Ab-Initio Prediction of Puckered Penta-Like Pdpsex (x=o, S, Te) Janus Monolayers: Study on the Electronic, Optical, Mechanical and Photocatalytic Properties | Bafekry, A.; Faraji, M.; Fadlallah, Mohamed M.; Jappor, H. R.; Hieu, N. N.; Ghergherehchi, M.; Gogova, D. |
| 2021 | Adsorption of Habitat and Industry-Relevant Molecules on the Mosi2n4 Monolayer | Bafekry, A.; Faraji, M.; Fadlallah, M. M.; Ziabari, A. Abdolahzadeh; Khatibani, A. Bagheri; Feghhi, S. A. H.; Gogova, D. |
| 2022 | Band-Gap Engineering, Magnetic Behavior and Dirac-Semimetal Character in the Mosi2n4 Nanoribbon With Armchair and Zigzag Edges | Bafekry, A.; Faraji, M.; Stampfl, C.; Sarsari, I. Abdolhosseini; Ziabari, A. Abdollahzadeh; Hieu, N. N.; Karbasizadeh, S. |
| 2022 | Biphenylene Monolayer as a Two-Dimensional Nonbenzenoid Carbon Allotrope: a First-Principles Study | Bafekry, A.; Faraji, M.; Fadlallah, M. M.; Jappor, H. R.; Karbasizadeh, S.; Ghergherehchi, M.; Gogova, D. |
| 2024 | Controlling the Electro-Optical Properties of an Alsb Monolayer With a Dlhc Structure Through Phosphorus Alloying: a Dft Study | Bafekry, A.; Faraji, M.; Fazeli, S.; Khan, S. H.; Fadlallah, M. M.; Stampfl, C.; Ghergherehchi, M. |
| 2021 | A Dirac-Semimetal Two-Dimensional Ben4: Thickness-Dependent Electronic and Optical Properties | Bafekry, A.; Stampfl, C.; Faraji, M.; Yagmurcukardes, M.; Fadlallah, M. M.; Jappor, H. R.; Ghergherehchi, M. |
| 2021 | Effect of Adsorption and Substitutional B Doping at Different Concentrations on the Electronic and Magnetic Properties of a Beo Monolayer: a First-Principles Study | Bafekry, A.; Faraji, M.; Fadlallah, M. M.; Hoat, D. M.; Khatibani, A. Bagheri; Sarsari, I. Abdolhosseini; Ghergherehchi, M. |
| 2021 | Effect of Electric Field and Vertical Strain on the Electro-Optical Properties of the Mosi2n4 Bilayer: a First-Principles Calculation | Bafekry, A.; Stampfl, C.; Naseri, M.; Fadlallah, Mohamed M.; Faraji, M.; Ghergherehchi, M.; Feghhi, S. A. H. |
| 2024 | Effects of Vacancy Defects and Atomic Doping on the Electronic and Magnetic Properties of Puckered Penta-Like Pdpse Monolayer: an Ab Initio Study | Bafekry, A.; Faraji, M.; Ziabari, A. Abdolahzadeh; Musavi, S. Javad; Fadlallah, M. M.; Ghergherehchi, M.; Chang, Gap Soo |
| 2021 | Electronic and Magnetic Properties of Two-Dimensional of Fex (x = S, Se, Te) Monolayers Crystallize in the Orthorhombic Structures | Bafekry, A.; Sarsari, I. Abdolhosseini; Faraji, M.; Fadlallah, M. M.; Jappor, H. R.; Karbasizadeh, S.; Ghergherehchi, M. |
| 2021 | Electronic, Optical and Thermoelectric Properties of a Novel Two-Dimensional Sbxy (x = Se, Te; Y = Br, I) Family: Ab Initio Perspective | Bafekry, A.; Faraji, M.; Fadlallah, M. M.; Hoat, D. M.; Jappor, H. R.; Sarsari, I. Abdolhosseini; Ghergherehchi, M. |
| 2021 | Erratum: Van Der Waals Heterostructure of Graphene and Germanane: Tuning the Ohmic Contact by Electrostatic Gating and Mechanical Strain(physical Chemistry Chemical Physics (2021) Doi: 10.1039/D1cp03632g) | Bafekry, A.; Karbasizadeh, S.; Faraji, M.; Khatibani, A. Bagheri; Sarsari, I. Abdolhosseini; Gogova, D.; Ghergherehchi, M. |
| 2022 | Investigation of Vacancy Defects and Substitutional Doping in Alsb Monolayer With Double Layer Honeycomb Structure: a First-Principles Calculation | Bafekry, A.; Faraji, M.; Karbasizadeh, S.; Jappor, H. R.; Sarsari, I. Abdolhosseini; Ghergherehchi, M.; Gogova, D. |
| 2024 | Layered Conjugated Porous Fused Aromatic Network Structures of Two-Dimensional Carbon Nitride: a First-Principles Calculation of Optoelectronic Properties | Bafekry, A.; Fadlallah, M. M.; Stampfl, C.; Ziabari, A. Abdolahzadeh; Fazeli, S.; Faraji, M.; Jappor, H. R. |
| 2024 | Metal To Semiconductor Switching in the Agte Monolayer Via Decoration With Alkali Metal and Alkaline Earth Metal Atoms: a First-Principles Perspective | Bafekry, A.; Fadlallah, M. M.; Faraji, M.; Khan, S. Hasan; Jappor, H. R.; Shokri, Babak; Ghergherehchi, M. |
| 2022 | Monoelemental Two-Dimensional Iodinene Nanosheets: a First-Principles Study of the Electronic and Optical Properties | Bafekry, A.; Stampfl, C.; Faraji, M.; Mortazavi, B.; Fadlallah, M. M.; Nguyen, Chuong, V; Fazeli, S. |
| 2021 | Mosi2n4 Single-Layer: a Novel Two-Dimensional Material With Outstanding Mechanical, Thermal, Electronic and Optical Properties | Bafekry, A.; Faraji, M.; Hoat, D. M.; Shahrokhi, M.; Fadlallah, M. M.; Shojaei, F.; Gogova, D. |
| 2021 | Novel Two-Dimensional Alsb and Insb Monolayers With a Double-Layer Honeycomb Structure: a First-Principles Study | Bafekry, A.; Faraji, M.; Fadlallah, M. M.; Jappor, H. R.; Karbasizadeh, S.; Ghergherehchi, M.; Sarsari, I. Abdolhosseini |
| 2021 | A Novel Two-Dimensional Boron-Carbon (bcn) Monolayer: A First-Principles Insight | Bafekry, A.; Naseri, M.; Fadlallah, M. M.; Abdolhosseini Sarsari, I.; Faraji, M.; Bagheri, Khatibani, A.; Ghergherehchi, M. |
| 2021 | Novel Two-Dimensional Zno2, Cdo2 and Hgo2 Monolayers: a First-Principles Prediction | Faraji, M.; Bafekry, A.; Gogova, D.; Hoat, D. M.; Ghergherehchi, M.; Chuong, N. V.; Feghhi, S. A. H. |
| 2021 | Point Defects in Two-Dimensional Beo Monolayer: a First-Principles Study on Electronic and Magnetic Properties | Bafekry, A.; Faraji, M.; Karbasizadeh, S.; Khatibani, A. Bagheri; Ziabari, A. Abdolahzadeh; Gogova, D.; Ghergherehchi, M. |
| 2021 | Prediction of Two-Dimensional Bismuth-Based Chalcogenides Bi2x3(x = S, Se, Te) Monolayers With Orthorhombic Structure: a First-Principles Study | Bafekry, A.; Faraji, M.; Fadlallah, M. M.; Jappor, H. R.; Hieu, N. N.; Ghergherehchi, M.; Gogova, D. |
| 2021 | Surface Modification of Titanium Carbide Mxene Monolayers (ti2c and Ti3c2) Via Chalcogenide and Halogenide Atoms | Faraji, M.; Bafekry, A.; Fadlallah, M. M.; Molaei, F.; Hieu, N. N.; Qian, P.; Gogova, D. |
| 2024 | Surface Modification of Xse (x = Cu and Ag) Monolayers by Grope 1 Elements: a Metal To Semiconductor Transition by a First-Principles Perspective | Bafekry, A.; Faraji, M.; Khan, S.H.; Fadlallah, M.M.; Jappor, H.R.; Shokri, B.; Ghergherehchi, M. |
| 2022 | Theoretical Prediction of Two-Dimensional Bc2x (x = N, P, As) Monolayers: Ab Initio Investigations | Bafekry, A.; Naseri, M.; Faraji, M.; Fadlallah, M.M.; Hoat, D.M.; Jappor, H.R.; Ghergherehchi, M. |
| 2022 | Thermoelectric Properties of Doped Graphene Nanoribbons: Density Functional Theory Calculations and Electrical Transport | Rahmati, E.; Bafekry, A.; Faraji, M.; Gogva, D.; Nguyen, Chuong, V; Ghergherehchi, M. |
| 2021 | Tunable Electronic and Magnetic Properties of Mosi2n4 Monolayer Via Vacancy Defects, Atomic Adsorption and Atomic Doping | Bafekry, A.; Faraji, M.; Fadlallah, Mohamed M.; Khatibani, A. Bagheri; Ziabari, A. Abdolahzadeh; Ghergherehchi, M.; Gogova, D. |
| 2022 | Tunable Electronic Properties of Porous Graphitic Carbon Nitride (c6n7) Monolayer by Atomic Doping and Embedding: a First-Principle Study | Bafekry, A.; Faraji, M.; Hieu, N. N.; Khatibani, A. Bagheri; Fadlallah, Mohamed M.; Gogova, D.; Ghergherehchi, M. |
| 2021 | Two-Dimensional Buckled Tetragonal Cadmium Chalcogenides Including Cds, Cdse, and Cdte Monolayers as Photo-Catalysts for Water Splitting | Naseri, M.; Bafekry, A.; Faraji, M.; Hoat, D. M.; Fadlallah, Mohamed M.; Ghergherehchi, M.; Gogova, D. |
| 2022 | Two-Dimensional Dirac Half-Metal in Porous Carbon Nitride C6n7 Monolayer Via Atomic Doping | Bafekry, A.; Faraji, M.; Hieu, N. N.; Ang, Yee Sin; Karbasizadeh, S.; Abdolhosseini Sarsari, I; Ghergherehchi, M. |
| 2021 | Two-Dimensional Fete2 and Predicted Janus Fexs (x: Te and Se) Monolayers With Intrinsic Half-Metallic Character: Tunable Electronic and Magnetic Properties Via Strain and Electric Field | Bafekry, A.; Faraji, M.; Karbasizadeh, S.; Sarsari, I. Abdolhosseini; Jappor, H. R.; Ghergherehchi, M.; Gogova, D. |
| 2021 | Two-Dimensional Janus Semiconductor Bitecl and Bitebr Monolayers: a First-Principles Study on Their Tunable Electronic Properties Via an Electric Field and Mechanical Strain | Bafekry, A.; Karbasizadeh, S.; Stampfl, C.; Faraji, M.; Hoat, D. M.; Sarsari, I. Abdolhosseini; Ghergherehchi, M. |
| 2022 | Two-Dimensional Penta-Like Pdpse With a Puckered Pentagonal Structure: a First-Principles Study | Bafekry, A.; Fadlallah, M. M.; Faraji, Mehrdad; Shafique, A.; Jappor, H. R.; Abdolhoseini Sarsari, I.; Ghergherehchi, M. |
| 2021 | Two-Dimensional Porous Graphitic Carbon Nitride C6n7 Monolayer: First-Principles Calculations | Bafekry, A.; Faraji, M.; Fadlallah, M. M.; Abdolhosseini Sarsari, I.; Jappor, H. R.; Fazeli, S.; Ghergherehchi, M. |
| 2022 | Two-Dimensional Porous Graphitic Carbon Nitride C6n7 Monolayer: First-Principles Calculations & Nbsp; (vol 119, 142102 2021) | Bafekry, A.; Faraji, M.; Fadlallah, M. M.; Sarsari, I. Abdolhosseini; Jappor, H. R.; Fazeli, S.; Ghergherehchi, M. |
| 2022 | Two-Dimensional Xy Monolayers (x = Al, Ga, In; Y = N, P, As) With a Double Layer Hexagonal Structure: a First-Principles Perspective | Faraji, M.; Bafekry, A.; Fadlallah, Mohamed M.; Jappor, H. R.; Ghergherehchi, M.; Nguyen, Chuong V. |
| 2021 | Van Der Waals Heterostructure of Graphene and Germanane: Tuning the Ohmic Contact by Electrostatic Gating and Mechanical Strain | Bafekry, A.; Karbasizadeh, S.; Faraji, M.; Khatibani, A. Bagheri; Sarsari, I. Abdolhosseini; Gogova, D.; Ghergherehchi, M. |
| 2021 | A van der Waals heterostructure of MoS2/MoSi2N4: a first-principles study | Bafekry, A.; Faraji, M.; Ziabari, A. Abdollahzadeh; Fadlallah, M. M.; Nguyen, Chuong, V; Ghergherehchi, M.; Feghhi, S. A. H. |
