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Interaction in Li@Fullerenes and Li(+)@Fullerenes: First Principle Insights to Li-Based Endohedral Fullerenes
This work reveals first principle results of the endohedral fullerenes made from neutral or charged single atomic lithium (Li or Li(+)) encapsulated in fullerenes with various cage sizes. According to the calculated binding energies, it is found that the encapsulation of a single lithium atom is ene...
| Autores principales: | , , , , |
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| Formato: | Online Artículo Texto |
| Lenguaje: | English |
| Publicado: |
MDPI
2019
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| Materias: | |
| Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6523142/ https://www.ncbi.nlm.nih.gov/pubmed/31003416 http://dx.doi.org/10.3390/nano9040630 |