DocumentCode
2826807
Title
Vacancies in Nanotubes and Fullerenes
Author
Griadun, V.
Author_Institution
Zaporozhye Nat. Tech. Univ.
Volume
2
fYear
2006
fDate
Sept. 2006
Firstpage
669
Lastpage
670
Abstract
Within the limits of a method of the molecular mechanics of MM+models of vacancies in carbon nanotubes by diameters 0.82 and 1.20 nm, and also in the some fullerenes are developed. Geometrical optimization of the gained molecular models were spent by algorithms of the steepest descent etc. Calculations of energy of nanostructures were carried out by the extended Huckel method. For nanotubes energies of formation of vacancies have made 5.98 and 7.44 eV, and for fullerenes C20, C30, C60, C80, C180, C240, and C540 have appeared equal 2.91, 2.92, 9.20, 5.95, 8.09, 8.53, and 7.41 eV, accordingly
Keywords
EHT calculations; carbon nanotubes; fullerenes; vacancies (crystal); C180; C20; C240; C30; C540; C60; C80; carbon nanotubes; extended Huckel method; fullerenes; molecular mechanics; molecular models; nanostructures; vacancies; Carbon nanotubes; Electronic mail; Hidden Markov models; IEEE catalog; Microwave technology; Nanostructures; Organizing; Solid modeling;
fLanguage
English
Publisher
ieee
Conference_Titel
Microwave and Telecommunication Technology, 2006. CriMiCO '06. 16th International Crimean Conference
Conference_Location
Sevastopol, Crimea
Print_ISBN
966-7968-92-8
Electronic_ISBN
966-7968-92-8
Type
conf
DOI
10.1109/CRMICO.2006.256150
Filename
4023432
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