| MoSi2N4 single-layer: a novel two-dimensional material with outstanding mechanical, thermal, electronic and optical properties A Bafekry, M Faraji, DM Hoat, M Shahrokhi, MM Fadlallah, F Shojaei, ... Journal of Physics D: Applied Physics 54 (15), 155303, 2021 | 220 | 2021 |
| Interfacial characteristics, Schottky contact, and optical performance of a graphene/Ga 2 SSe van der Waals heterostructure: Strain engineering and electric field tunability HTT Nguyen, MM Obeid, A Bafekry, M Idrees, TV Vu, HV Phuc, NN Hieu, ... Phys. Rev. B 102 (7), 075414, 2020 | 150 | 2020 |
| A first-principles study of the effects of atom impurities, defects, strain, electric field and layer thickness on the electronic and magnetic properties of the C2N nanosheet A Bafekry, C Stampfl, M Ghergherehchi, SF Shayesteh Carbon 157, 371 - 384, 2020 | 129 | 2020 |
| A type-II GaSe/HfS2 van der Waals heterostructure as promising photocatalyst with high carrier mobility MM Obeid, A Bafekry, SU Rehman, CV Nguyen Applied Surface Science 534, 147607, 2020 | 126 | 2020 |
| Biphenylene monolayer as a two-dimensional nonbenzenoid carbon allotrope: A first-principles study A Bafekry, M Faraji, MM Fadlallah, HR Jappor, S Karbasizadeh, ... Journal of Physics: Condensed Matter 34, 015001, 2021 | 109 | 2021 |
| Tunable electronic and magnetic properties of MoSi2N4 monolayer via vacancy defects, atomic adsorption and atomic doping A Bafekry, M Faraji, MM Fadlallah, AB Khatibani, A Abdolahzadeh Ziabari, ... Applied Surface Science 559, 149862, 2021 | 102 | 2021 |
| C3N Monolayer: Exploring the Emerging of Novel Electronic and Magnetic Properties with Adatom Adsorption, Functionalizations, Electric Field, Charging, and Strain A Bafekry, S Farjami Shayesteh, FM Peeters The Journal of Physical Chemistry C 123 (19), 12485-12499, 2019 | 93 | 2019 |
| First-Principles Investigation of Nonmetal Doped Single-Layer BiOBr as a Potential Photocatalyst with Low Recombination Rate M Obeid, C Stampfl, A Bafekry, HR Jappor, C Nguyen, D Gogova, ... Physical Chemistry Chemical Physics 22, 15354-15364, 2020 | 92 | 2020 |
| Two-dimensional carbon nitride (2DCN) nanosheets: Tuning of novel electronic and magnetic properties by hydrogenation, atom substitution and defect engineering A Bafekry, SF Shayesteh, FM Peeters Journal of Applied Physics 126 (21), 2019 | 90 | 2019 |
| Graphene-like BC6N single-layer: Tunable electronic and magnetic properties via thickness, gating, topological defects, and adatom/molecule A Bafekry Physica E: Low-dimensional Systems and Nanostructures 118, 113850, 2020 | 85 | 2020 |
| A Dirac-semimetal two-dimensional BeN4: Thickness-dependent electronic and optical properties A Bafekry, C Stampfl, M Faraji, M Yagmurcukardes, MM Fadlallah, ... Applied Physics Letters 118 (20), 2021 | 81 | 2021 |
| Theoretical prediction of two-dimensional BC2X (X = N, P, As) monolayers: ab initio investigations A Bafekry, M Naseri, M Faraji, MM Fadlallah, DM Hoat, HR Jappor, ... Scientific Reports 12 (1), 22269, 2022 | 76 | 2022 |
| Puckered Penta-like PdPX (X= O, S, Te) Semiconducting Nanosheets: First-Principles Study of the Mechanical, Electro-Optical, and Photocatalytic Properties A Bafekry, MM Fadlallah, M Faraji, NN Hieu, HR Jappor, C Stampfl, ... ACS Applied Materials & Interfaces 14 (18), 21577–21584, 2022 | 73 | 2022 |
| Tunable electronic and magnetic properties of graphene/carbon-nitride van der Waals heterostructures A Bafekry, B Akgenc, SF Shayesteh, B Mortazavi Applied Surface Science 505, 144450, 2020 | 73 | 2020 |
| Electro-optical properties of monolayer and bilayer boron-doped C3N: Tunable electronic structure via strain engineering and electric field A Bafekry, M Yagmurcukardes, M Shahrokhi, M Ghergherehchi Carbon 168, 220-229, 2020 | 72 | 2020 |
| Van der Waals heterostructures of MoS2 and Janus MoSSe monolayers on graphitic boron-carbon-nitride (BC3, C3N, C3N4 and C4N3) nanosheets: a first-principles study A Bafekry, M Yagmurcukardes, B Akgenc, M Ghergherehchi, CV Nguyen Journal of Physics D: Applied Physics 53 (35), 355106, 2020 | 72 | 2020 |
| Two-dimensional XY monolayers (X= Al, Ga, In; Y= N, P, As) with a double layer hexagonal structure: A first-principles perspective M Faraji, A Bafekry, MM Fadlallah, HR Jappor, CV Nguyen, ... Applied Surface Science 590, 152998, 2022 | 71 | 2022 |
| A van der Waals heterostructure of MoS2/MoSi2N4: a first-principles study A Bafekry, M Faraji, AA Ziabari, MM Fadlallah, CV Nguyen, ... New Journal of Chemistry 45 (18), 8291-8296, 2021 | 71 | 2021 |
| Two-dimensional porous graphitic carbon nitride C6N7 monolayer: First-principles calculations A Bafekry, M Faraji, MM Fadlallah, I Abdolhosseini Sarsari, HR Jappor, ... Applied Physics Letters 119 (14), 2021 | 70 | 2021 |
| Adsorption of habitat and industry-relevant molecules on the MoSi2N4 monolayer A Bafekry, M Faraji, MM Fadlallah, AA Ziabari, AB Khatibani, SAH Feghhi, ... Applied Surface Science 564, 150326, 2021 | 70 | 2021 |
mehrdad farajiPurdue University, Davidson School of Chemical EngineeringVerified email at purdue.edu