Title of article
QUANTUM-CHEMICAL MODELLING OF COMPOSITE NANOMATERIALS: IRON CLUSTERS Fen (n = 6, 15, 19) IN CARBON NANOTUBES
Author/Authors
Ivanovskii، A.L. نويسنده , , Ivanovskaya، V.V. نويسنده ,
Issue Information
روزنامه با شماره پیاپی سال 2006
Pages
6
From page
239
To page
244
Abstract
The electronic and magnetic characteristics and the stability of composite nanomaterials Fen@C-NT, which represent ordered unidimensional assemblies of iron clusters Fen (n = 6, 15, and 19) inside carbon nanotubes, were analyzed for the first time by the electron density functional tight binding (DFTB) method.
Keywords
Carbon nanotubes , electronic , Modelling , magnetic characteristics , nanocomposites , iron clusters
Journal title
Theoretical and Experimental Chemistry
Serial Year
2006
Journal title
Theoretical and Experimental Chemistry
Record number
122399
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