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Masoud Shahrokhi
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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
2012018
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
1852021
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
1402019
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
1342017
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
1152018
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
1132018
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
1072017
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
942018
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
922015
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
762020
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
742019
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
692020
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
692016
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
672017
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
602019
Quasi-particle energies and optical excitations of ZnS monolayer honeycomb structure
M Shahrokhi
Applied Surface Science 390, 377-384, 2016
602016
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
592017
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
572019
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
562021
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
512019
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