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

页码：1195 / 1200

页数：6

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