84 citations · 463 across the 42 of their papers we have counts for
43 papers
Novel Carbon allotropes with mixed hybridizations: ene-C10, and ene-yne-C14. Crystal chemistry and first principles investigations
Samir F. Matar
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 label…
Ultra-hard hexagonal C with C3 cyclopropane-like moiety from first principles
Samir F. Matar
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 stru…
Superglitter and squarodiamond, novel C12 (sp2/sp3) and C16 (sp3) allotropes from first principles
Samir F Matar
Original carbon allotropes C12 and C16 called superglitter and squarodiamond from relationships with literature glitter and squaroglitter respectively are shown through DFT-based g…
C5 as simplest ultrahard allotrope with mixed sp2/sp3 carbon hybridizations from first principles
Samir F Matar
From crystal chemistry rationale and density functional DFT calculations, novel tetragonal carbon C5 is proposed as simplest ultrahard allotrope with mixed hybrid carbon hybridizat…
First principles investigations in the carbon silicon system of novel tetragonal C8 (diamond) and Si8 allotropes and binary Si4C4 phase
Samir F. Matar
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 physica…
Novel Ultra-hard tetragonal Octacarbon C8 close to Diamond from First Principles
Samir F. Matar
Novel ultra-hard carbon allotrope is proposed with mechanical, dynamic, and thermal properties like diamond. Based on energy criteria from computations within density functional th…