| Selective ensembles in supported palladium sulfide nanoparticles for alkyne semi-hydrogenation D Albani, M Shahrokhi, Z Chen, S Mitchell, R Hauert, N López, ... Nature communications 9 (1), 2634, 2018 | 213 | 2018 |
| 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 | 203 | 2021 |
| Outstanding strength, optical characteristics and thermal conductivity of graphene-like BC3 and BC6N semiconductors B Mortazavi, M Shahrokhi, M Raeisi, X Zhuang, LFC Pereira, T Rabczuk Carbon 149, 733-742, 2019 | 146 | 2019 |
| Tuning the band gap and optical spectra of silicon-doped graphene: Many-body effects and excitonic states M Shahrokhi, C Leonard Journal of alloys and compounds 693, 1185-1196, 2017 | 139 | 2017 |
| Boron–graphdiyne: a superstretchable semiconductor with low thermal conductivity and ultrahigh capacity for Li, Na and Ca ion storage B Mortazavi, M Shahrokhi, X Zhuang, T Rabczuk Journal of Materials Chemistry A 6 (23), 11022-11036, 2018 | 117 | 2018 |
| Borophene hydride: a stiff 2D material with high thermal conductivity and attractive optical and electronic properties B Mortazavi, M Makaremi, M Shahrokhi, M Raeisi, CV Singh, T Rabczuk, ... Nanoscale 10 (8), 3759-3768, 2018 | 117 | 2018 |
| Hybrid palladium nanoparticles for direct hydrogen peroxide synthesis: the key role of the ligand GM Lari, B Puértolas, M Shahrokhi, N López, J Pérez‐Ramírez Angewandte Chemie 129 (7), 1801-1805, 2017 | 111 | 2017 |
| N-graphdiyne two-dimensional nanomaterials: Semiconductors with low thermal conductivity and high stretchability B Mortazavi, M Makaremi, M Shahrokhi, Z Fan, T Rabczuk Carbon 137, 57-67, 2018 | 98 | 2018 |
| On how differently the quasi-harmonic approximation works for two isostructural crystals: Thermal properties of periclase and lime A Erba, M Shahrokhi, R Moradian, R Dovesi The Journal of chemical physics 142 (4), 2015 | 93 | 2015 |
| Nanoporous C3N4, C3N5 and C3N6 nanosheets; novel strong semiconductors with low thermal conductivities and appealing optical/electronic properties B Mortazavi, F Shojaei, M Shahrokhi, M Azizi, T Rabczuk, AV Shapeev, ... Carbon 167, 40-50, 2020 | 85 | 2020 |
| N-, P-, As-triphenylene-graphdiyne: Strong and stable 2D semiconductors with outstanding capacities as anodes for Li-ion batteries B Mortazavi, M Shahrokhi, ME Madjet, M Makaremi, S Ahzi, T Rabczuk Carbon 141, 291-303, 2019 | 73 | 2019 |
| Quasi-particle energies and optical excitations of wurtzite BeO and its nanosheet M Shahrokhi, C Leonard Journal of Alloys and Compounds 682, 254-262, 2016 | 73 | 2016 |
| 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 | 70 | 2020 |
| Anisotropic mechanical and optical response and negative Poisson’s ratio in Mo2C nanomembranes revealed by first-principles simulations B Mortazavi, M Shahrokhi, M Makaremi, T Rabczuk Nanotechnology 28 (11), 115705, 2017 | 69 | 2017 |
| New two-dimensional boron nitride allotropes with attractive electronic and optical properties M Shahrokhi, B Mortazavi, GR Berdiyorov Solid State Communications 253, 51-56, 2017 | 62 | 2017 |
| Prediction of C 7 N 6 and C 9 N 4: stable and strong porous carbon-nitride nanosheets with attractive electronic and optical properties B Mortazavi, M Shahrokhi, AV Shapeev, T Rabczuk, X Zhuang Journal of Materials Chemistry C 7 (35), 10908-10917, 2019 | 61 | 2019 |
| Two-dimensional carbon nitride C6N nanosheet with egg-comb-like structure and electronic properties of a semimetal A Bafekry, M Shahrokhi, A Shafique, HR Jappor, F Shojaei, SAH Feghhi, ... Nanotechnology 32 (21), 215702, 2021 | 59 | 2021 |
| Quasi-particle energies and optical excitations of ZnS monolayer honeycomb structure M Shahrokhi Applied Surface Science 390, 377-384, 2016 | 59 | 2016 |
| Nanoporous graphene: A 2D semiconductor with anisotropic mechanical, optical and thermal conduction properties B Mortazavi, ME Madjet, M Shahrokhi, S Ahzi, X Zhuang, T Rabczuk Carbon 147, 377-384, 2019 | 58 | 2019 |
| N-, B-, P-, Al-, As-, Ga-graphdiyne/graphyne lattices: First-principles investigation of mechanical, optical and electronic properties B Mortazavi, M Shahrokhi, ME Madjet, T Hussain, X Zhuang, T Rabczuk Journal of Materials Chemistry C, 2019 | 52 | 2019 |
