256 citations · 1.5k across the 19 of their papers we have counts for
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Prediction of C7N6 and C9N4: Stable and strong porous carbon-nitride nanosheets with attractive electronic and optical properties
Bohayra Mortazavi, Masoud Shahrokhi, Alexander V Shapeev +2
In this work, three novel porous carbon-nitride nanosheets with C7N6, C9N4 and C10N3 stoichiometries are predicted. First-principles simulations were accordingly employed to evalua…
Outstanding strength, optical characteristics and thermal conductivity of graphene-like BC and BCN semiconductors
Bohayra Mortazavi, Masoud Shahrokhi, Mostafa Raeisi +3
Carbon based two-dimensional (2D) materials with honeycomb lattices, like graphene, polyaniline carbon-nitride (CN) and boron-carbide (BC) exhibit exceptional physical prop…
Theoretical realization of two-dimensional M3(C6X6)2(M= Co, Cr, Cu, Fe, Mn, Ni, Pd, Rh and X= O, S, Se) metal-organic frameworks
Bohayra Mortazavi, Masoud Shahrokhi, Tanveer Hussain +2
Most recently, Cu-hexahydroxybenzene MOF was for the time experimentally realized, through a kinetically controlled approach. Cu-HHB belongs to the family of conductive MOFs with a…
Nanoporous graphene: a 2D semiconductor with anisotropic mechanical, optical and thermal conduction properties
Bohayra Mortazavi, Mohamed E. Madjet, Masoud Shahrokhi +3
Nanoporous graphene (NPG), consisting of ordered arrays of nanopores separated by graphene nanoribbons was recently realized using a bottom-up synthesis method (Science 360(2018),…
N-, B-, P-, Al-, As-, Ga-graphdiyne/graphyne lattices: First-principles investigation of mechanical, optical and electronic properties
B. Mortazavi, M. Shahrokhi, M. E. Madjet +3
Graphdiyne and graphyne are carbon-based two-dimensional (2D) porous atomic lattices, with outstanding physics and excellent application prospects for advanced technologies, like n…