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Rahmati, E. and Bafekry, A. and Faraji, M. and Gogva, D. and Nguyen, Chuong V. and Ghergherehchi, M. (2022) Thermoelectric properties of doped graphene nanoribbons: density functional theory calculations and electrical transport. RSC Advances, 12 (10). pp. 6174-6180. ISSN 2046-2069

Faraji, M. and Bafekry, A. and Fadlallah, Mohamed M. and Jappor, H.R. and Nguyen, Chuong V. and Ghergherehchi, M. (2022) Two-dimensional XY monolayers (X = Al, Ga, In; Y = N, P, As) with a double layer hexagonal structure: A first-principles perspective. Applied Surface Science, 590. p. 152998. ISSN 01694332

Bafekry, A. and Mortazavi, B. and Faraji, M. and Shahrokhi, M. and Shafique, A. and Jappor, H.R. and Nguyen, C. and Ghergherehchi, M. and Feghhi, S.A.H. (2021) Ab initio prediction of semiconductivity in a novel two-dimensional Sb2X3 (X= S, Se, Te) monolayers with orthorhombic structure. Scientific Reports, 11 (1): 10366. ISSN 20452322

Bafekry, A. and Gogova, D. and M. Fadlallah, M. and V. Chuong, N. and Ghergherehchi, M. and Faraji, M. and Feghhi, S.A.H. and Oskoeian, M. (2021) Electronic and optical properties of two-dimensional heterostructures and heterojunctions between doped-graphene and C- And N-containing materials. Physical Chemistry Chemical Physics, 23 (8). pp. 4865-4873. ISSN 14639076

Faraji, M. and Bafekry, A. and Gogova, D. and Hoat, D.M. and Ghergherehchi, M. and Chuong, N.V. and Feghhi, S.A.H. (2021) Novel two-dimensional ZnO2, CdO2and HgO2monolayers: A first-principles-based prediction. New Journal of Chemistry, 45 (21). pp. 9368-9374. ISSN 11440546

Bafekry, A. and Faraji, M. and Fadlallah, M.M. and Mortazavi, B. and Ziabari, A.A. and Khatibani, A.B. and Nguyen, C.V. and Ghergherehchi, M. and Gogova, D. (2021) Point Defects in a Two-Dimensional ZnSnN2 Nanosheet: A First-Principles Study on the Electronic and Magnetic Properties. Journal of Physical Chemistry C, 125 (23). pp. 13067-13075. ISSN 19327447

Bafekry, A. and Faraji, M. and Abdollahzadeh Ziabari, A. and Fadlallah, M.M. and Nguyen, C.V. and Ghergherehchi, M. and Feghhi, S.A.H. (2021) A van der Waals heterostructure of MoS2/MoSi2N4: A first-principles study. New Journal of Chemistry, 45 (18). pp. 8291-8296. ISSN 11440546

Bafekry, A. and Stampfl, C. and Akgenc, B. and Mortazavi, B. and Ghergherehchi, M. and Nguyen, C.V. (2020) Embedding of atoms into the nanopore sites of the C6N6 and C6N8 porous carbon nitride monolayers with tunable electronic properties. Physical Chemistry Chemical Physics, 22 (11). pp. 6418-6433. ISSN 14639076

Obeid, M.M. and Stampfl, C. and Bafekry, A. and Guan, Z. and Jappor, H.R. and Nguyen, C.V. and Naseri, M. and Hoat, D.M. and Hieu, N.N. and Krauklis, A.E. and Vu, T.V. and Gogova, D. (2020) First-principles investigation of nonmetal doped single-layer BiOBr as a potential photocatalyst with a low recombination rate. Physical Chemistry Chemical Physics, 22 (27). pp. 15354-15364. ISSN 14639076

Bafekry, A. and Obeid, M.M. and Nguyen, C.V. and Ghergherehchi, M. and Bagheri Tagani, M. (2020) Graphene hetero-multilayer on layered platinum mineral jacutingaite (Pt2HgSe3): Van der Waals heterostructures with novel optoelectronic and thermoelectric performances. Journal of Materials Chemistry A, 8 (26). pp. 13248-13260. ISSN 20507488

Nguyen, H.T.T. and Obeid, M.M. and Bafekry, A. and Idrees, M. and Vu, T.V. and Phuc, H.V. and Hieu, N.N. and Hoa, L.T. and Amin, B. and Nguyen, C.V. (2020) Interfacial characteristics, Schottky contact, and optical performance of a graphene/Ga2 SSe van der Waals heterostructure: Strain engineering and electric field tunability. Physical Review B, 102 (7): 75414. ISSN 24699950

Bafekry, A. and Stampfl, C. and Nguyen, C. and Ghergherehchi, M. and Mortazavi, B. (2020) Tunable electronic properties of the dynamically stable layered mineral Pt2HgSe3(Jacutingaite). Physical Chemistry Chemical Physics, 22 (42). pp. 24471-24479. ISSN 14639076

Bafekry, A. and Bafekry, A. and Yagmurcukardes, M. and Akgenc, B. and Ghergherehchi, M. and Nguyen, C.V. (2020) Van der waals heterostructures of mos2and janus mosse monolayers on graphitic boron-carbon-nitride (bc 3, c 3n, c3n4and c4n3) nanosheets: A first-principles study. Journal of Physics D: Applied Physics, 53 (35): 355106. ISSN 223727

Bafekry, A. and Fadlallah, M.M. and Nguyen, C. and Gogova, D. (2020) Vertical two-dimensional layered conjugated porous organic network structures of poly-benzimidazobenzophenanthroline (BBL): A first-principles study. Applied Physics Letters, 117 (23): 233101. ISSN 36951

Obeid, M.M. and Bafekry, A. and Ur Rehman, S. and Nguyen, C.V. (2020) A type-II GaSe/HfS2 van der Waals heterostructure as promising photocatalyst with high carrier mobility. Applied Surface Science, 534: 147607. ISSN 1694332