| 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-driven 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. |
| 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. |
| 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 | 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. |
| 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 | 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. |
| 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 | 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 | 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. |
| 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. |
