电邮这篇文章 Computer simulation of size effects and adsorption properties of one-wall carbon nanotubes (6,6)
- 作者: Nechaeva L.1, Butyrskaya E.1, Zapryagaev S.1
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隶属关系:
- Voronezh State University
- 期: 卷 86, 编号 7 (2016)
- 页面: 1684-1691
- 栏目: Article
- URL: https://journals.rcsi.science/1070-3632/article/view/215743
- DOI: https://doi.org/10.1134/S1070363216070252
- ID: 215743
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详细
Structure, electric and adsorption properties of carbon open-end nanotubes of (6,6) chirality consisting of 5–19 segments were studied by quantum-chemical methods AM1, PM3, LSDA/3-21G, B3LYP/6-31G. The size effects and adsorption properties of nanotubes are discussed.
作者简介
L. Nechaeva
Voronezh State University
编辑信件的主要联系方式.
Email: lsnechaeva06@yandex.ru
俄罗斯联邦, Universitetskaya pl. 1, Voronezh, 394006
E. Butyrskaya
Voronezh State University
Email: lsnechaeva06@yandex.ru
俄罗斯联邦, Universitetskaya pl. 1, Voronezh, 394006
S. Zapryagaev
Voronezh State University
Email: lsnechaeva06@yandex.ru
俄罗斯联邦, Universitetskaya pl. 1, Voronezh, 394006
