Structural selective charge transfer in iodine-doped carbon nanotubes
نویسندگان
چکیده
We have investigated iodine intercalated carbon nanostructures by extended X-ray absorption fine structure (EXAFS) and Raman spectroscopies. We discuss here the charge transfer and the iodine–carbon interaction as a function of the carbon nanostructures (graphite, multiwalled, double-walled and single walled nanotubes). The results show that iodine is weakly adsorbed on the surface of all multi-walled nanotubes. By contrast, a charge transfer between iodine and single walled nanotubes is evidenced.
منابع مشابه
Raman spectroscopy of iodine-doped double-walled carbon nanotubes
We present a Raman spectroscopy study of iodine-intercalated (p-type doped) double-walled carbon nanotubes. Double-walled carbon nanotubes (DWCNTs) are synthesized by catalytic chemical vapor deposition (CCVD) and characterized by Raman spectroscopy. The assignment of the radial breathing modes and the tangential modes of pristine DWCNTs is done in the framework of the bond polarization theory,...
متن کاملA Theoretical Study of H2S and CO2 Interaction with the Single-Walled Nitrogen Doped Carbon Nanotubes
The physical adsorption of hydrogen sulfide and carbon dioxide gases on the zigzag (5,0) carbon nanotubes doped with nitrogen was investigated through the application of B3LYP/6-31G* at the level of theory on Gaussian 03 software. A variety of stable and high abundance structures of nitrogen doped carbon nanotubes were considered in order to study the interaction between the mentioned gases in ...
متن کاملNBO analysis and theoretical thermodynamic study of (5,5) & (6,6) armchair carbon nanotubes via DFT method
In the present work, the structural and electronic properties, and conductivity of (5,5) and (6,6) Single Walled Carbon Nanotubes in the ground state have done by using the Hartree-Fock and density functional theory DFT-B3LYP/6-31G* level. Delocalization of charge density between the bonding or lone pair and antibonding orbitals calculated by NBO (natural bond orbital) analysis. These methods a...
متن کاملNBO analysis and theoretical thermodynamic study of (5,5) & (6,6) armchair carbon nanotubes via DFT method
In the present work, the structural and electronic properties, and conductivity of (5,5) and (6,6) Single Walled Carbon Nanotubes in the ground state have done by using the Hartree-Fock and density functional theory DFT-B3LYP/6-31G* level. Delocalization of charge density between the bonding or lone pair and antibonding orbitals calculated by NBO (natural bond orbital) analysis. These methods a...
متن کاملA Theoretical Study of H2S and CO2 Interaction with the Single-Walled Nitrogen Doped Carbon Nanotubes
The physical adsorption of hydrogen sulfide and carbon dioxide gases on the zigzag (5,0) carbon nanotubes doped with nitrogen was investigated through the application of B3LYP/6-31G* at the level of theory on Gaussian 03 software. A variety of stable and high abundance structures of nitrogen doped carbon nanotubes were considered in order to study the interaction between the mentioned gases in ...
متن کامل