Exploring the Impact of Hydrogen Interstitial on Structural, Energetic, and Electronic Characteristics within a Carbon Monovacancy
We discover a unique structural-modified-diamond which exhibits similar symmetry and band gap energy to that of the pure diamond. We study a complex carbon-vacancy-hydrogen in the diamond using the density-functional-theory method. The defective models are created by adding H-interstitial (Hi, where...
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| Autori principali: | , , |
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| Natura: | Artigo |
| Lingua: | Inglês |
| Pubblicazione: |
EDP Sciences
2025-01-01
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| Serie: | E3S Web of Conferences |
| Soggetti: | |
| Accesso online: | https://www.e3s-conferences.org/articles/e3sconf/pdf/2025/19/e3sconf_icsget2025_01006.pdf |
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