Browsing by Author Ghergherehchi, M.


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Showing results 1 to 20 of 26  next >
Issue DateTitleAuthor(s)
2022Ab-initio-driven prediction of puckered penta-like PdPSeX (X=O, S, Te) Janus monolayers: Study on the electronic, optical, mechanical and photocatalytic propertiesBafekry, A.; Faraji, M.; Fadlallah, Mohamed M.; Jappor, H. R.; Hieu, N. N.; Ghergherehchi, M.; Gogova, D.
2021A Dirac-semimetal two-dimensional BeN4: Thickness-dependent electronic and optical propertiesBafekry, A.; Stampfl, C.; Faraji, M.; Yagmurcukardes, M.; Fadlallah, M. M.; Jappor, H. R.; Ghergherehchi, M.
2021Effect of adsorption and substitutional B doping at different concentrations on the electronic and magnetic properties of a BeO monolayer: a first-principles studyBafekry, A.; Faraji, M.; Fadlallah, M. M.; Hoat, D. M.; Khatibani, A. Bagheri; Sarsari, I. Abdolhosseini; Ghergherehchi, M.
2021Effect of electric field and vertical strain on the electro-optical properties of the MoSi2N4 bilayer: A first-principles calculationBafekry, A.; Stampfl, C.; Naseri, M.; Fadlallah, Mohamed M.; Faraji, M.; Ghergherehchi, M.; Feghhi, S. A. H.
2021Electronic and magnetic properties of two-dimensional of FeX (X = S, Se, Te) monolayers crystallize in the orthorhombic structuresBafekry, A.; Sarsari, I. Abdolhosseini; Faraji, M.; Fadlallah, M. M.; Jappor, H. R.; Karbasizadeh, S.; Ghergherehchi, M.
2021Electronic, optical and thermoelectric properties of a novel two-dimensional SbXY (X = Se, Te; Y = Br, I) family: ab initio perspectiveBafekry, A.; Faraji, M.; Fadlallah, M. M.; Hoat, D. M.; Jappor, H. R.; Sarsari, I. Abdolhosseini; Ghergherehchi, M.
2021Erratum: 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.
2022Investigation of vacancy defects and substitutional doping in AlSb monolayer with double layer honeycomb structure: A first-principles calculationBafekry, A.; Faraji, M.; Karbasizadeh, S.; Jappor, H. R.; Sarsari, I. Abdolhosseini; Ghergherehchi, M.; Gogova, D.
2021Novel two-dimensional AlSb and InSb monolayers with a double-layer honeycomb structure: a first-principles studyBafekry, A.; Faraji, M.; Fadlallah, M. M.; Jappor, H. R.; Karbasizadeh, S.; Ghergherehchi, M.; Sarsari, I. Abdolhosseini
2021A novel two-dimensional boron-carbon-nitride (BCN) monolayer: A first-principles insightBafekry, A.; Naseri, M.; Fadlallah, M. M.; Abdolhosseini Sarsari, I.; Faraji, M.; Bagheri, Khatibani, A.; Ghergherehchi, M.
2021Novel two-dimensional ZnO2, CdO2 and HgO2 monolayers: a first-principles-based predictionFaraji, M.; Bafekry, A.; Gogova, D.; Hoat, D. M.; Ghergherehchi, M.; Chuong, N. V.; Feghhi, S. A. H.
2021Point defects in two-dimensional BeO monolayer: a first-principles study on electronic and magnetic propertiesBafekry, A.; Faraji, M.; Karbasizadeh, S.; Khatibani, A. Bagheri; Ziabari, A. Abdolahzadeh; Gogova, D.; Ghergherehchi, M.
2021Prediction of two-dimensional bismuth-based chalcogenides Bi2X3(X = S, Se, Te) monolayers with orthorhombic structure: a first-principles studyBafekry, A.; Faraji, M.; Fadlallah, M. M.; Jappor, H. R.; Hieu, N. N.; Ghergherehchi, M.; Gogova, D.
2022Thermoelectric properties of doped graphene nanoribbons: density functional theory calculations and electrical transportRahmati, E.; Bafekry, A.; Faraji, M.; Gogva, D.; Nguyen, Chuong, V; Ghergherehchi, M.
2021Tunable electronic and magnetic properties of MoSi2N4 monolayer via vacancy defects, atomic adsorption and atomic dopingBafekry, A.; Faraji, M.; Fadlallah, Mohamed M.; Khatibani, A. Bagheri; Ziabari, A. Abdolahzadeh; Ghergherehchi, M.; Gogova, D.
2022Tunable electronic properties of porous graphitic carbon nitride (C6N7) monolayer by atomic doping and embedding: A first-principle studyBafekry, A.; Faraji, M.; Hieu, N. N.; Khatibani, A. Bagheri; Fadlallah, Mohamed M.; Gogova, D.; Ghergherehchi, M.
2021Two-dimensional buckled tetragonal cadmium chalcogenides including CdS, CdSe, and CdTe monolayers as photo-catalysts for water splittingNaseri, M.; Bafekry, A.; Faraji, M.; Hoat, D. M.; Fadlallah, Mohamed M.; Ghergherehchi, M.; Gogova, D.
2022Two-dimensional Dirac half-metal in porous carbon nitride C6N7 monolayer via atomic dopingBafekry, A.; Faraji, M.; Hieu, N. N.; Ang, Yee Sin; Karbasizadeh, S.; Abdolhosseini Sarsari, I; Ghergherehchi, M.
2021Two-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 fieldBafekry, A.; Faraji, M.; Karbasizadeh, S.; Sarsari, I. Abdolhosseini; Jappor, H. R.; Ghergherehchi, M.; Gogova, D.
2021Two-dimensional Janus semiconductor BiTeCl and BiTeBr monolayers: a first-principles study on their tunable electronic properties via an electric field and mechanical strainBafekry, A.; Karbasizadeh, S.; Stampfl, C.; Faraji, M.; Hoat, D. M.; Sarsari, I. Abdolhosseini; Ghergherehchi, M.