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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...

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Detalhes bibliográficos
Publicado no:Nanomaterials (Basel)
Main Authors: Bai, Hongcun, Gao, Hongfeng, Feng, Wei, Zhao, Yaping, Wu, Yuhua
Formato: Artigo
Idioma:Inglês
Publicado em: MDPI 2019
Assuntos:
Acesso em linha:https://ncbi.nlm.nih.gov/pmc/articles/PMC6523142/
https://ncbi.nlm.nih.gov/pubmed/31003416
https://ncbi.nlm.nih.govhttp://dx.doi.org/10.3390/nano9040630
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