2001
DOI: 10.1063/1.1416165
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Electronic structure of the Fe-layer-catalyzed carbon nanotubes studied by x-ray-absorption spectroscopy

Abstract: X-ray-absorption near edge structure ͑XANES͒ measurements have been performed to investigate the local electronic structures of the Fe-catalyzed and stabilized carbon nanotubes ͑CNT͒ with various diameters. The intensities of the *and *-band and the interlayer-state features in the C K-edge XANES spectra of these CNTs vary with the diameter of the CNT. The white-line features at the C K-and Fe L 3 -edges suggest a strong hybridization between the C 2p and Fe 3d orbitals, which lead to an enhancement of the C K… Show more

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Cited by 28 publications
(35 citation statements)
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“…We observe that conduction charge from the minority spin bands is concentrated on the Fe central nanowire [9]. Mulliken population analysis [19] for the Fe 4 @(5,5) systems shows that the overall charge transfer occurs from Fe to C atom in accordance with experimental results for Fe nanocluster in CNTs [17]. The amounts of charge transfer for Fe 4 encapsulated in (5,5) and (7,7) SWNT are 0.189 e and 0.06 e per Fe atom, respectively.…”
Section: Systemsupporting
confidence: 84%
See 1 more Smart Citation
“…We observe that conduction charge from the minority spin bands is concentrated on the Fe central nanowire [9]. Mulliken population analysis [19] for the Fe 4 @(5,5) systems shows that the overall charge transfer occurs from Fe to C atom in accordance with experimental results for Fe nanocluster in CNTs [17]. The amounts of charge transfer for Fe 4 encapsulated in (5,5) and (7,7) SWNT are 0.189 e and 0.06 e per Fe atom, respectively.…”
Section: Systemsupporting
confidence: 84%
“…However the spin polarizations of Fe 4 @(5,5) is remarkably reduced to 20 % due to a strong interaction between the Fe nanowire and the C shell. This feature is attributed to a hybridization between C 2p and Fe 3d orbitals [17]. The spin polarization of Fe 4 @(7,7) with sufficiently large Fe-C distance is found to be almost the same as that for Fe 1 @(5,5).…”
Section: Systemmentioning
confidence: 73%
“…Although the detailed electronic structure has never been clarified, it is notable that the X-EFM at 290 eV provides a specific image of ‫ء‬ state excitation. [22][23][24] The ‫ء‬ state is sensitive to chemical modification of CNTs and is probably changed by the distortions found in this study.…”
Section: -3mentioning
confidence: 95%
“…Therefore, it is interesting to understand the effect of chemical modification of CNTs using halogens (F, I, Br and Cl). Different workers have been investigated the fluorine-, iodine-, bromine-treated CNTs [10][11][12] and CNTsbased nanomaterials [13][14][15] . A comprehensive study of the electronic structures and bonding properties of N-CNTs:Cl is complementary to the understanding of the properties of halogen modified CNTs.…”
Section: Introductionmentioning
confidence: 99%
“…In case of chlorine treatment 17 using dichlorocarbene compound, the surface of CNTs are modified with presence of other functional forms of carbon (i.e C-Cl, C-O and O-C=O) on the surface of CNTs by decreasing the density of C-C bonds. However, either on oxidation or chlorination it shows not only the surface modification but also changes the structural as well as electronic properties of CNTs [7][8][9][10][11][12][13][14][15][16][17][18] . We have observed from experimental results and hence theoretical calculation that chlorine bonded compounds (i.e.…”
Section: Introductionmentioning
confidence: 99%