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., Gogova, D., Afarideh, H.
Published in Scientific reports (23.12.2022)
Published in Scientific reports (23.12.2022)
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Journal Article
Two-dimensional penta-like PdPSe with a puckered pentagonal structure: a first-principles study
Bafekry, A, Fadlallah, M. M, Faraji, M, Shafique, A, Jappor, H. R, Abdolhoseini Sarsari, I, Ang, Yee Sin, Ghergherehchi, M
Published in Physical chemistry chemical physics : PCCP (04.05.2022)
Published in Physical chemistry chemical physics : PCCP (04.05.2022)
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Journal Article
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, Ziabari, A. Abdolahzadeh
Published in Physical chemistry chemical physics : PCCP (14.09.2021)
Published in Physical chemistry chemical physics : PCCP (14.09.2021)
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Journal Article
First-principles investigation of nonmetal doped single-layer BiOBr as a potential photocatalyst with a low recombination rate
Obeid, Mohammed M, Stampfl, C, Bafekry, A, Guan, Z, Jappor, H. R, Nguyen, C. V, Naseri, M, Hoat, D. M, Hieu, N. N, Krauklis, A. E, Vu, Tuan V, Gogova, D
Published in Physical chemistry chemical physics : PCCP (21.07.2020)
Published in Physical chemistry chemical physics : PCCP (21.07.2020)
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Journal Article
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. Hasan, Fadlallah, M. M., Jappor, H. R., Shokri, B., Ghergherehchi, M., Chang, Gap Soo
Published in Scientific reports (03.06.2024)
Published in Scientific reports (03.06.2024)
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Journal Article
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., Nguyen, C., Ghergherehchi, M., Feghhi, S. A. H.
Published in Scientific reports (14.05.2021)
Published in Scientific reports (14.05.2021)
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Journal Article
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
Published in Journal of physics. Condensed matter (09.02.2022)
Published in Journal of physics. Condensed matter (09.02.2022)
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Journal Article
Two-dimensional carbon nitride C6N nanosheet with egg-comb-like structure and electronic properties of a semimetal
Bafekry, A, Shahrokhi, M, Shafique, A, Jappor, H R, Shojaei, F, Feghhi, S A H, Ghergherehchi, M, Gogova, D
Published in Nanotechnology (21.05.2021)
Published in Nanotechnology (21.05.2021)
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Journal Article
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
Published in Physical chemistry chemical physics : PCCP (03.11.2021)
Published in Physical chemistry chemical physics : PCCP (03.11.2021)
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Journal Article
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., Feghhi, S. A. H.
Published in Physical chemistry chemical physics : PCCP (24.11.2021)
Published in Physical chemistry chemical physics : PCCP (24.11.2021)
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Journal Article
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, Chang, Gap Soo
Published in Physical chemistry chemical physics : PCCP (03.04.2024)
Published in Physical chemistry chemical physics : PCCP (03.04.2024)
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Journal Article
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, Feghhi, S A H, Gogova, D
Published in Journal of physics. D, Applied physics (30.09.2021)
Published in Journal of physics. D, Applied physics (30.09.2021)
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Journal Article
Layered conjugated porous fused aromatic network structures of two-dimensional carbon nitride: a first-principles calculation of optoelectronic properties
Bafekry, A., Fadlallah, M. M., Stampfl, C., Ziabari, A. Abdolahzadeh, Fazeli, S., Faraji, M., Jappor, H. R., Ghergherehchi, M.
Published in Applied physics. A, Materials science & processing (01.07.2024)
Published in Applied physics. A, Materials science & processing (01.07.2024)
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Journal Article
Insight view of mechanical, electronic and thermodynamic properties of the novel intermetallic REPt4In4 (RE = Eu, Gd, Tb, Dy, Ho) compounds via ab initio calculations
Bouayed, M Z, Yakoubi, A, Ahmed, R, Khachai, H, Khenata, R, Naqib, S H, Obeid, M M, Jappor, H R, Edrees, S J, Bin Omran, S, Wang, Xiaotian
Published in Bulletin of materials science (01.12.2020)
Published in Bulletin of materials science (01.12.2020)
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Journal Article
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., Nguyen, Chuong V., Ghergherehchi, M.
Published in Applied surface science (15.07.2022)
Published in Applied surface science (15.07.2022)
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Journal Article
Ab-initio-driven prediction of puckered penta-like PdPSeX (XO, 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.
Published in Applied surface science (30.04.2022)
Published in Applied surface science (30.04.2022)
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Journal Article
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
Published in arXiv.org (31.05.2021)
Published in arXiv.org (31.05.2021)
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Journal Article
Metal to semiconductor switching in the AgTe monolayer 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, Chang, Gap Soo
Published in Physical chemistry chemical physics : PCCP (03.04.2024)
Published in Physical chemistry chemical physics : PCCP (03.04.2024)
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Journal Article
Two-dimensional FeTe 2 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.
Published in Physical chemistry chemical physics : PCCP (03.11.2021)
Published in Physical chemistry chemical physics : PCCP (03.11.2021)
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Journal Article