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Energy barriers of Be and B in passing through the C60 fullerene cage
Fullerenes, Nanotubes and Carbon Nanostructures ( IF 2.3 ) Pub Date : 2024-03-06 , DOI: 10.1080/1536383x.2024.2321293
A. V. Bibikov 1 , A. V. Nikolaev 1 , P. V. Borisyuk 2 , E. V. Tkalya 3, 4
Affiliation  

We have studied the potential barriers for the penetration of atomic beryllium or boron inside the C60 fullerene by performing density functional theory (DFT) calculations with three variants for t...

中文翻译:

Be和B穿过C60富勒烯笼时的能垒

我们通过使用三种变体进行密度泛函理论 (DFT) 计算,研究了原子铍或硼渗透到 C60 富勒烯内部的潜在势垒。
更新日期:2024-03-08
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