ISSN:
1662-9752
Source:
Scientific.Net: Materials Science & Technology / Trans Tech Publications Archiv 1984-2008
Topics:
Mechanical Engineering, Materials Science, Production Engineering, Mining and Metallurgy, Traffic Engineering, Precision Mechanics
Notes:
ab-initio calculations on the interaction between the single-walled carbon nanotube(SWCN) and the Mg (0001) surface have been reported. It was found that the charge transfer frommetal surfaces to the nanotubes takes place depending on both the electronic structures of thenanotubes and the work functions of the metal surfaces. The stable geometries for the nanotubebetween two consecutive objectives with C-Mg chemical bonds formed. The interaction energy in themost stable geometry is found to be CNT’s structural dependence. Concerning the electronicproperties, the most stable structure showed a decrease in the density of states near the Fermi level dueto the formation of C-Mg bonds enhancing the metallic character of the nanotube by the contact withthe surface. The nature of the nanotube-interface interaction for nanotubes of larger diameters hasbeen also discussed based on the calculated bond order
Type of Medium:
Electronic Resource
URL:
http://www.tib-hannover.de/fulltexts/2011/0528/02/16/transtech_doi~10.4028%252Fwww.scientific.net%252FMSF.546-549.481.pdf
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