Title of article
Investigation of (5, 0) carbon nanotube-like boron structures using density functional theory
Author/Authors
Yang، نويسنده , , Chuan-Lu and An، نويسنده , , Yi-Peng and Sun، نويسنده , , Mei-Yu and Wang، نويسنده , , Mei-Shan and Wang، نويسنده , , De-Hua and Ma، نويسنده , , Xiao-Guang and Gong، نويسنده , , Yu-Bing، نويسنده ,
Issue Information
روزنامه با شماره پیاپی سال 2009
Pages
4
From page
311
To page
314
Abstract
The geometric and electronic properties of pure boron nanotubes containing 22, 42, or 62 atoms are studied using ab initio calculations. All are stable (5, 0) carbon nanotube-like and pucker-free structures with D5h symmetry. Their energetic stabilities are similar to the most stable B24 ring and better than the thinnest boron nanotubes. A B20 unit is found to be an embryo for building the present structures or longer boron nanotubes.
Journal title
Chemical Physics Letters
Serial Year
2009
Journal title
Chemical Physics Letters
Record number
1926626
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