Showing results 1 to 20 of 32
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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. |
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 | 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 | A novel two-dimensional boron-carbon-nitride (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-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. |
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. |