Title :
Ab initio study of mechanical properties of the Fe4-carbon nanotube complexes
Author_Institution :
Dept. of Phys., Southeast Univ., Nanjing, China
Abstract :
In this paper, the complex of Fe4 cluster and single walled carbon nanotubes (SWCNTs) as a model system of metal cluster-SWCNT complexes is presented. Structural and mechanical properties of the Fe4 cluster adsorbing inside and outside SWCNTs with various chiralities are investigated by first-principles calculations.
Keywords :
Young´s modulus; ab initio calculations; carbon nanotubes; deformation; iron; metal clusters; nanocomposites; Fe4-C; Young´s modulus; ab initio study; adsorption; deformation; first-principles calculation; mechanical properties; single-walled carbon nanotubes; structural properties;
Conference_Titel :
Vacuum Electron Sources Conference and Nanocarbon (IVESC), 2010 8th International
Conference_Location :
Nanjing
Print_ISBN :
978-1-4244-6645-0
DOI :
10.1109/IVESC.2010.5644186