| Issue Date | Title | Author(s) |
| 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. |
| 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. |
| 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. |
| 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 ZnO2, CdO2 and HgO2 monolayers: a first-principles-based 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. |
| 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. |
| 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 | 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. |
