Zobrazeno 1 - 10
of 744
pro vyhledávání: '"Matar, Samir. F."'
Autor:
Matar, Samir F.
Two mechanisms of changes from 2D to 3D (D = dimensionality) involving 2D C(sp2) trigonal paving to C(sp3) tetrahedral stacking are proposed through puckering of the 2D layers on one hand and interlayer insertion of extra C on the other hand. Such tr
Externí odkaz:
http://arxiv.org/abs/2408.16341
Autor:
Matar, Samir F
Novel cubic allotrope yne-C$_{16}$ with sp$^3$/sp$^1$ carbon hybridizations is devised based on crystal chemistry and computations of the ground structure and the energy-dependent quantities within the quantum density functional theory DFT. With resp
Externí odkaz:
http://arxiv.org/abs/2407.14777
Autor:
Matar, Samir F
Super-hard C5 with lon topology (lon: Lonsdaleite hexagonal diamond) and characterized by the presence of sp3 and sp2 -like carbon sites is devised from crystal chemistry and used as template matrix structure for identifying original carbonitrides C4
Externí odkaz:
http://arxiv.org/abs/2404.01813
Autor:
Matar, Samir F.
Publikováno v:
Journal of Superhard Marerials 4, 2, 2024
Original carbon allotropes, orthorhombic C8, C10, C12 and C14 presenting mixed sp2 and sp3 carbon hybridizations exhibiting ethene like and propadiene like embedded units are proposed from crystal chemistry and calculations within the quantum density
Externí odkaz:
http://arxiv.org/abs/2402.15493
Autor:
Matar, Samir F.
Based on crystal engineering and density functional theory DFT calculations a transformational pathway is proposed from qtz (quartz-based) topology characterized by distorted tetrahedra to dia (diamond-like) regular tetrahedra topology. The protocol
Externí odkaz:
http://arxiv.org/abs/2311.06924
Autor:
Matar, Samir F.
Based on C8, carbon 4C, with cfc topology, two hybrid carbon allotropes generated by inserting C(sp2) and C(sp1) carbon atoms into C8 diamond-like lattice were identified and labeled ene-C10 containing C(sp2) and ene-yne-C14 containing C(sp2 and sp1)
Externí odkaz:
http://arxiv.org/abs/2307.04359
Autor:
Matar, Samir F.
A novel carbon allotrope, hexagonal C12, is proposed from crystal chemistry and quantum density functional theory DFT calculations of ground state and physical properties. The structure exhibits corner sharing distorted tetrahedra with the presence o
Externí odkaz:
http://arxiv.org/abs/2306.08924
Autor:
Matar, Samir F
Original carbon allotropes C12 and C16 called superglitter and squarodiamond from relationships with literature glitter and squaroglitter respectively are shown through DFT-based geometry to be cohesive with energy dependent properties as hardness fr
Externí odkaz:
http://arxiv.org/abs/2304.01549
Autor:
Matar, Samir F
From crystal chemistry rationale and density functional DFT calculations, novel tetragonal carbon C5 is proposed as simplest ultrahard allotrope with mixed hybrid carbon hybridizations (sp2 - sp3). Novel pentacarbon is identified as cohesive and stab
Externí odkaz:
http://arxiv.org/abs/2210.04210
Autor:
Matar, Samir F.
Novel extended networks of C8, Si8 and silicon carbide Si4C4 are proposed based on crystal chemistry rationale and optimized structures to ground state energies and derived physical properties within the density functional theory (DFT). The two carbo
Externí odkaz:
http://arxiv.org/abs/2207.10359