Zobrazeno 1 - 10
of 419
pro vyhledávání: '"Samir F. Matar"'
Autor:
Samir F. Matar, Vladimir L. Solozhenko
Publikováno v:
Molecules, Vol 29, Iss 17, p 4052 (2024)
Tetragonal and hexagonal hybrid sp3/sp2 carbon allotropes C5 were proposed based on crystal chemistry and subsequently used as template structures to identify new binary phases of the B–N system, specifically tetragonal and hexagonal boron nitrides
Externí odkaz:
https://doaj.org/article/6e5e2ad149af4eb1b1dc0c549bb5c74e
Autor:
Samir F. Matar, Vladimir L. Solozhenko
Publikováno v:
C, Vol 10, Iss 3, p 64 (2024)
Novel superhard tetragonal carbon allotropes C5, C6, and C7, characterized by the presence of sp3- and sp2-like carbon sites, have been predicted from crystal chemistry and extensively studied by quantum density functional theory (DFT) calculations.
Externí odkaz:
https://doaj.org/article/77dcfb9ac3ac4143b41ed879d090ee9e
Autor:
Samir F. Matar, Vladimir L. Solozhenko
Publikováno v:
Crystals, Vol 14, Iss 4, p 359 (2024)
Novel tetragonal (P42/mnm) boron pnictides BX (X = N, P, As, Sb, Bi) with chromium boride (crb) topology exhibiting a square B2X2 motif with resulting edge- and corner-sharing tetrahedra were predicted from crystal chemistry and extensively character
Externí odkaz:
https://doaj.org/article/34176a4a36fc401bb79ccceca3960253
Autor:
Vladimir L. Solozhenko, Samir F. Matar
Publikováno v:
Crystals, Vol 14, Iss 3, p 221 (2024)
The superdense hexagonal boron pnictides BX (X = As, Sb, Bi), whose structures are formed by distorted tetrahedra and characterized by a quartz-derived (qtz) topology, have been predicted from first principles as potential high-pressure phases. From
Externí odkaz:
https://doaj.org/article/b3f1aa92fdb54e92adf6926efcffb573
Autor:
Vladimir L. Solozhenko, Samir F. Matar
Publikováno v:
Crystals, Vol 13, Iss 12, p 1622 (2023)
The superdense hexagonal phosphides BP and AlP, whose structures are formed by distorted tetrahedra and characterized by quartz-derived (qtz) topology, were predicted from crystal chemistry and first principles as potential high-pressure phases. From
Externí odkaz:
https://doaj.org/article/0744c00ad5d042aaab321b6dec8e5765
Autor:
Samir F. Matar, Vladimir L. Solozhenko
Publikováno v:
Crystals, Vol 13, Iss 10, p 1498 (2023)
Based on superdense C6 with a quartz (qtz) topology, new ultrahigh-density hexagonal binary phases, qtz BN and qtz SiC, were identified via full geometry structure relaxations and ground state energies using calculations based on the quantum density
Externí odkaz:
https://doaj.org/article/7143ce83ee564b189a13c431070ffdd4
Autor:
Samir F. Matar, Vladimir L. Solozhenko
Publikováno v:
Crystals, Vol 13, Iss 7, p 1111 (2023)
Tetragonal C7, C5N2, and C3N4, characterized by mixed tetrahedral and trigonal atomic hybridizations, have been devised based on crystal chemistry rationale and structural optimization calculations within density functional theory (DFT). Substitution
Externí odkaz:
https://doaj.org/article/fb61ccde3c7441b882b9037e8fe347ec
Autor:
Yifeng Jiang, Lai Chung Liu, Antoine Sarracini, Kamil M. Krawczyk, Jordan S. Wentzell, Cheng Lu, Ryan L. Field, Samir F. Matar, Wojciech Gawelda, Henrike M. Müller-Werkmeister, R. J. Dwayne Miller
Publikováno v:
Nature Communications, Vol 11, Iss 1, Pp 1-8 (2020)
Electron spin is a fundamental property of molecules, and changes in spin state affect both molecular structure and dynamics. Here, the authors resolve, by ultrafast electron diffraction, the nuclear reorganization stabilizing spin transitions in a [
Externí odkaz:
https://doaj.org/article/cc1c2628961b4f3698e25d91530b557a
Publikováno v:
Carbon Trends, Vol 6, Iss , Pp 100132- (2022)
The purpose of this paper is to predict the existence of novel 3D covalent ultra-hard carbon allotropes in view of synthesizing them eventually. Stability and spectroscopic characteristics of the rarely occurring tricarbon linear molecule from quantu
Externí odkaz:
https://doaj.org/article/5ecdc3676626400e858aa4e0c265a207
Publikováno v:
C, Vol 9, Iss 1, p 11 (2023)
Based on 4H, 6H and 8H diamond polytypes, novel extended lattice allotropes C10, C14 and C18 characterized by mixed sp3/sp2 carbon hybridizations were devised based on crystal chemistry rationale and first-principles calculations of the ground state
Externí odkaz:
https://doaj.org/article/9d91a7d5011b4d938ee099a501d74063