Hydrogenation of Boron-Carbon Nanotubes

被引：1
|
作者：
Boroznin, S. V. [1 ]
Zaporotskova, I. V. [1 ]
Boroznina, E. V. [1 ]
Polikarpov, D. I. [1 ]
Polikarpova, N. P. [1 ]
机构：
[1] Volgograd State Univ, Volgograd 400062, St Bogdanova, Russia
来源：
NANOSCIENCE AND NANOTECHNOLOGY LETTERS | 2013年 / 5卷 / 11期
关键词：
Boron-Carbon Nanotubes; Hydrogenation; Adsorption; Filling; The "Capillary" Method; Wetting;
D O I：
10.1166/nnl.2013.1694
中图分类号：
TB3 [工程材料学];
学科分类号：
0805 ; 080502 ;
摘要：
The article investigates the adsorption mechanism of atomic hydrogen on the external Surface of boron-carbon nanotubes BC3 and the process of filling the nanotube cavity with atomic hydrogen. The calculations are performed by using the model of the molecular cluster, semi-empirical MNDO scheme and density functional theory (DFT). It has been proved that effective hydrogenation process in BC3 nanotubes is possible. It has been found that boron atoms have a positive effect on the process of adsorption in boron-carbon nanotubes.
引用
收藏
页码：1195 / 1200
页数：6
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