| Issue Date | Title | Author(s) |
| 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 | 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 | 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 | 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 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. |
