SUPPORTING INFORMATION Nitrogen Doped Carbon Nanotubes Functionalized by Transition Metal Atoms: A Density-Functional Study
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چکیده
منابع مشابه
Investigation of hydralazine drug adsorption on functionalized single-walled carbon nanotubes by density functional theory (DFT) method
Background: In recent years, advances in nanotechnology presents opportunities to overcome limitations in targeted drug delivery. Nano drug carriers have the ability to change the pharmacokinetics of drugs and can improve efficacy and reduce side effects. The objective of the present work is to study the interaction of Hydralazine with functionalized carbon nanotubes by performing density funct...
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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 کاملLinkage of doxycycline onto functionalized multi-walled carbon nanotube and morphological characterization
In this paper functionalized multiwall carbon nanotubes (FMWCNT) were modified using doxycycline, containing reactable nitrogen, which can attach chemically to functionalized MWCNT. The synthesized nano compounds were characterized by Fourier transform infrared spectroscopy (FT-IR) and Raman spectroscopy. These spectrums proved the existence of nitrogen atoms of amide functional groups. The mor...
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 ...
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تاریخ انتشار 2009