Interaction in Li@Fullerenes and Li<sup>+</sup>@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<sup>+</sup>) encapsulated in fullerenes with various cage sizes. According to the calculated binding energies, it is found that the encapsulation of a singl...
| Main Authors: | , , , , |
|---|---|
| Format: | Article |
| Language: | English |
| Published: |
MDPI AG
2019-04-01
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| Series: | Nanomaterials |
| Subjects: | |
| Online Access: | https://www.mdpi.com/2079-4991/9/4/630 |