Novel Superhard Tetragonal Hybrid sp<sup>3</sup>/sp<sup>2</sup> Carbon Allotropes C<i><sub>x</sub></i> (<i>x</i> = 5, 6, 7): Crystal Chemistry and Ab Initio Studies
Novel superhard tetragonal carbon allotropes C<sub>5</sub>, C<sub>6</sub>, and C<sub>7</sub>, characterized by the presence of sp<sup>3</sup>- and sp<sup>2</sup>-like carbon sites, have been predicted from crystal chemistry and extensively studied by quantum density functional theory (DFT) calculati...
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| Glavni autori: | , |
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| Format: | Artigo |
| Jezik: | Inglês |
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MDPI AG
2024-07-01
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| Serija: | C |
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| Online pristup: | https://www.mdpi.com/2311-5629/10/3/64 |
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