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Materials Chemistry

Working Paper

Crystal chemistry rationale and DFT investigations of novel hard tetragonal C6 built from tetrahedral C(sp3) lattice embedding allene-like sp2 linear tricarbon.

Samir MATAR

Version 1 posted 28 October 2022

146

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2

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Theoretical and Computational Chemistry

Working Paper

Novel ultra-hard hexacarbon allotropes from first principles

Samir F. Matar, Vladimir L. Solozhenko

Version 1 posted 05 January 2022

233

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1

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Materials Chemistry

Working Paper

New ultrahard tetragonal C9 and C12 allotropes with edge- and corner-sharing C4 tetrahedra and diamond-like properties

Samir F. Matar, Vladimir L. Solozhenko

Version 1 posted 23 May 2023

164

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Materials Chemistry

Working Paper

First principles search for novel ultrahard high-density carbon allotropes: hexagonal C6, C9 and C12

Samir F. Matar, Vladimir L. Solozhenko

Version 1 posted 20 February 2023

192

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Materials Chemistry

Working Paper

High-pressure phases of boron pnictides BX (X = As, Sb, Bi) with quartz topology from first principles

Vladimir L. Solozhenko, Samir F. Matar

Version 1 posted 12 February 2024

129

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3

Citations

Materials Science

Working Paper

Superhard hexagonal sp3-bonded BN polytypes and BC2N from crystal chemistry and first principles

Samir F. Matar, Vladimir L. Solozhenko

Version 1 posted 30 August 2023

180

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Materials Chemistry

Working Paper

Novel tetragonal boron pnictides BX (X = N, P, As, Sb, Bi) with square B2X2 motifs from crystal chemistry and first principles

Samir F. Matar, Vladimir L. Solozhenko

Version 1 posted 29 March 2024

205

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Materials Science

Working Paper

Ultrahigh-density superhard hexagonal BN and SiC with quartz topology from crystal chemistry and first principles

Samir F. Matar, Vladimir L. Solozhenko

Version 1 posted 28 September 2023

143

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3

Citations

Materials Science

Working Paper

Novel (super)hard SiCN from crystal chemistry and first principles

Samir F. Matar, Jean Etourneau, Vladimir L. Solozhenko

Version 1 posted 30 March 2022

259

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Materials Science

Working Paper

Novel ultrahard carbon allotropes from crystal chemistry and first principles: rhombohedral ene-C21 and yne-C24

Samir F. Matar, Vladimir L. Solozhenko

Version 1 posted 23 March 2023

182

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21 results in Samir Matar in Authors: Samir Matar

Crystal chemistry rationale and DFT investigations of novel hard tetragonal C6 built from tetrahedral C(sp3) lattice embedding allene-like sp2 linear tricarbon.

Novel ultra-hard hexacarbon allotropes from first principles

New ultrahard tetragonal C9 and C12 allotropes with edge- and corner-sharing C4 tetrahedra and diamond-like properties

First principles search for novel ultrahard high-density carbon allotropes: hexagonal C6, C9 and C12

High-pressure phases of boron pnictides BX (X = As, Sb, Bi) with quartz topology from first principles

Superhard hexagonal sp3-bonded BN polytypes and BC2N from crystal chemistry and first principles

Novel tetragonal boron pnictides BX (X = N, P, As, Sb, Bi) with square B2X2 motifs from crystal chemistry and first principles

Ultrahigh-density superhard hexagonal BN and SiC with quartz topology from crystal chemistry and first principles

Novel (super)hard SiCN from crystal chemistry and first principles

Novel ultrahard carbon allotropes from crystal chemistry and first principles: rhombohedral ene-C21 and yne-C24

21 results in Authors: Samir Matar