Be 和 B 穿过 C60 富勒烯笼的能量障碍

IF 2.1 4区材料科学 Q3 CHEMISTRY, PHYSICAL

Fullerenes, Nanotubes and Carbon Nanostructures Pub Date : 2024-03-06 DOI:10.1080/1536383x.2024.2321293

A. V. Bibikov, A. V. Nikolaev, P. V. Borisyuk, E. V. Tkalya

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引用次数: 0

摘要

我们通过密度泛函理论（DFT）计算研究了原子铍或硼渗入 C60 富勒烯内部的潜在障碍，计算中使用了三种不同的计算方法。

本文章由计算机程序翻译，如有差异，请以英文原文为准。

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Energy barriers of Be and B in passing through the C60 fullerene cage

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...

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来源期刊

Fullerenes, Nanotubes and Carbon Nanostructures 工程技术-材料科学：综合

CiteScore

4.80

自引率

17.40%

发文量

审稿时长

1 months

期刊介绍： The international and interdisciplinary forum, Fullerenes, Nanotubes, and Carbon Nanostructures , aims at publishing peer-reviewed research of original work in all areas of CARBON research including fullerenes, nanotubes, nanodiamond, graphene, any type of carbon nanostructure and any work dealing with carbon and carbon-related topics. Publishing high quality papers from all fields of carbon science and related topics, the journal intends to provide a means of communication between researchers who are interested in fundamental and applied carbon science issues.