Density functional theory study on X-doped Bn+1 clusters (n=1~11; X=Be,Mn)
The ground state structures, stabilities, electronic configurations and magnetic properties of Bn X clusters(n=1~11; X=B, Be, Mn) have been systematically investigated by density functional theory. The results show that the X atoms are all located with high coordination number in BnX clusters (n=5-1...
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| Päätekijät: | , , , |
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| Aineistotyyppi: | Artigo |
| Kieli: | Inglês |
| Julkaistu: |
Editorial Department of Journal of Sichuan University (Natural Science Edition)
2022-01-01
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| Sarja: | 四川大学学报. 自然科学版 |
| Aiheet: | |
| Linkit: | http://science.scu.edu.cn/thesisDetails#10.19907/j.0490-6756.2022.044004 |
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