Adosorption of H2O on the Inside Surface of B-N Co-Doped Carbon Nanotube

Abstract:

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In this paper, we have investigated the geometries and electronic structures of B-N co-doped carbon nanotube with inside adsorption of water molecules. The charge distributions, band structures and local density of states are calculated by using the first-principles theory in detail. The results show that the water molecules can adsorb stably on the inside surface of the doped nanotube with slight deformation. The π and π* subbands shift upward depending on the sites of the adoptions. The investigations will be beneficial to the biological application of B-N co-doped nanotube.

Info:

Periodical:

Key Engineering Materials (Volumes 480-481)

Edited by:

Yanwen Wu

Pages:

132-136

DOI:

10.4028/www.scientific.net/KEM.480-481.132

Citation:

J. W. Wei et al., "Adosorption of H2O on the Inside Surface of B-N Co-Doped Carbon Nanotube", Key Engineering Materials, Vols. 480-481, pp. 132-136, 2011

Online since:

June 2011

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Price:

$35.00

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