| MoSi2N4 single-layer: a novel two-dimensional material with outstanding mechanical, thermal, electronic and optical properties A Bafekry, M Faraji, DM Hoat, M Shahrokhi, MM Fadlallah, F Shojaei, ... Journal of Physics D: Applied Physics 54 (15), 155303, 2021 | 204 | 2021 |
| Biphenylene monolayer as a two-dimensional nonbenzenoid carbon allotrope: a first-principles study A Bafekry, M Faraji, MM Fadlallah, HR Jappor, S Karbasizadeh, ... Journal of Physics: Condensed Matter 34 (1), 015001, 2021 | 95 | 2021 |
| Tunable electronic and magnetic properties of MoSi2N4 monolayer via vacancy defects, atomic adsorption and atomic doping A Bafekry, M Faraji, MM Fadlallah, AB Khatibani, A Abdolahzadeh Ziabari, ... Applied Surface Science 559, 149862, 2021 | 95 | 2021 |
| A Dirac-semimetal two-dimensional BeN4: Thickness-dependent electronic and optical properties A Bafekry, C Stampfl, M Faraji, M Yagmurcukardes, MM Fadlallah, ... Applied Physics Letters 118 (20), 2021 | 73 | 2021 |
| Theoretical prediction of two-dimensional BC2 X (X= N, P, As) monolayers: Ab initio investigations A Bafekry, N Naseri, F Faraji, MM Fadlallah, DM Hoat, HR Jappor, ... Scientific Reports 12, 22269, 2022 | 68 | 2022 |
| A van der Waals heterostructure of MoS 2/MoSi 2 N 4: a first-principles study A Bafekry, M Faraji, AA Ziabari, MM Fadlallah, CV Nguyen, ... New Journal of Chemistry 45 (18), 8291-8296, 2021 | 68 | 2021 |
| Puckered penta-like PdPX (X= O, S, Te) semiconducting nanosheets: first-principles study of the mechanical, electro-optical, and photocatalytic properties A Bafekry, MM Fadlallah, M Faraji, NN Hieu, HR Jappor, C Stampfl, ... ACS Applied Materials & Interfaces 14 (18), 21577-21584, 2022 | 66 | 2022 |
| Ab-initio-driven prediction of puckered penta-like PdPSeX (XO, S, Te) Janus monolayers: Study on the electronic, optical, mechanical and photocatalytic properties A Bafekry, M Faraji, MM Fadlallah, HR Jappor, NN Hieu, ... Applied Surface Science 582, 152356, 2022 | 65 | 2022 |
| Effect of electric field and vertical strain on the electro-optical properties of the MoSi2N4 bilayer: A first-principles calculation A Bafekry, C Stampfl, M Naseri, MM Fadlallah, M Faraji, M Ghergherehchi, ... Journal of Applied Physics 129 (15), 2021 | 65 | 2021 |
| Two-dimensional porous graphitic carbon nitride C6N7 monolayer: First-principles calculations A Bafekry, M Faraji, MM Fadlallah, I Abdolhosseini Sarsari, HR Jappor, ... Applied Physics Letters 119 (14), 2021 | 64 | 2021 |
| Two-dimensional penta-like PdPSe with a puckered pentagonal structure: a first-principles study A Bafekry, MM Fadlallah, M Faraji, A Shafique, HR Jappor, IA Sarsari, ... Physical Chemistry Chemical Physics 24 (17), 9990-9997, 2022 | 63 | 2022 |
| Adsorption of habitat and industry-relevant molecules on the MoSi2N4 monolayer A Bafekry, M Faraji, MM Fadlallah, AA Ziabari, AB Khatibani, SAH Feghhi, ... Applied Surface Science 564, 150326, 2021 | 63 | 2021 |
| Surface modification of titanium carbide MXene monolayers (Ti 2 C and Ti 3 C 2) via chalcogenide and halogenide atoms M Faraji, A Bafekry, MM Fadlallah, F Molaei, NN Hieu, P Qian, ... Physical Chemistry Chemical Physics 23 (28), 15319-15328, 2021 | 62 | 2021 |
| Two-dimensional XY monolayers (X= Al, Ga, In; Y= N, P, As) with a double layer hexagonal structure: A first-principles perspective M Faraji, A Bafekry, MM Fadlallah, HR Jappor, CV Nguyen, ... Applied Surface Science 590, 152998, 2022 | 58 | 2022 |
| Novel two-dimensional AlSb and InSb monolayers with a double-layer honeycomb structure: a first-principles study A Bafekry, M Faraji, MM Fadlallah, HR Jappor, S Karbasizadeh, ... Physical Chemistry Chemical Physics 23 (34), 18752-18759, 2021 | 55 | 2021 |
| Prediction of two-dimensional bismuth-based chalcogenides Bi2X3 (X= S, Se, Te) monolayers with orthorhombic structure: a first-principles study A Bafekry, M Faraji, MM Fadlallah, HR Jappor, NN Hieu, ... Journal of Physics D: Applied Physics 54 (39), 395103, 2021 | 53 | 2021 |
| Electronic and magnetic properties of two-dimensional of FeX (X= S, Se, Te) monolayers crystallize in the orthorhombic structures A Bafekry, I Abdolhosseini Sarsari, M Faraji, MM Fadlallah, HR Jappor, ... Applied Physics Letters 118 (14), 2021 | 49 | 2021 |
| Semiconducting chalcogenide alloys based on the (Ge, Sn, Pb)(S, Se, Te) formula with outstanding properties: a first-principles calculation study A Bafekry, M Shahrokhi, A Shafique, HR Jappor, MM Fadlallah, C Stampfl, ... ACS omega 6 (14), 9433-9441, 2021 | 48 | 2021 |
| Magnetic, electronic, and vibrational properties of metal and fluorinated metal phthalocyanines OI Arillo-Flores, MM Fadlallah, C Schuster, U Eckern, AH Romero Physical Review B—Condensed Matter and Materials Physics 87 (16), 165115, 2013 | 46 | 2013 |
| Electronic, optical and thermoelectric properties of a novel two-dimensional SbXY (X= Se, Te; Y= Br, I) family: ab initio perspective A Bafekry, M Faraji, MM Fadlallah, DM Hoat, HR Jappor, IA Sarsari, ... Physical Chemistry Chemical Physics 23 (45), 25866-25876, 2021 | 44 | 2021 |
