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Predicting the new carbon nanocages, fullerynes: a DFT study
In this study, based on density functional theory, we propose a new branch of pseudo-fullerenes which contain triple bonds with sp hybridization. We call these new nanostructures fullerynes, according to IUPAC. We present four samples with the chemical formula of C(4n)H(n), and the structures derive...
| Autores principales: | , , |
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| Formato: | Online Artículo Texto |
| Lenguaje: | English |
| Publicado: |
Nature Publishing Group UK
2021
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| Materias: | |
| Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC7844298/ https://www.ncbi.nlm.nih.gov/pubmed/33510291 http://dx.doi.org/10.1038/s41598-021-82142-2 |