Epoxidation and deoxygenation of single-walled carbon nanotubes: quantification of epoxide defects.
نویسندگان
چکیده
Epoxidation of single-walled carbon nanotubes (SWNTs) may be carried out by the reaction of SWNTs with either trifluorodimethyldioxirane or 3-chloroperoxybenzoic acid; the resulting O-SWNTs are spectroscopically similar to those formed by ozonolysis. Quantification of the epoxide substituents is possible through the catalytic de-epoxidation reaction using MeReO3/PPh3 and the 31P NMR spectroscopy. The de-epoxidation methodology may be used to determine that wet air oxidation is preferable to either acid or O2/SF6 purification. We have demonstrated that previously assumed "pure" SWNTs are actually "doped" to a level of at least 1 oxygen per 250 carbon atoms.
منابع مشابه
New hybrid nanomaterial derived from immobilization of a molybdenum complex on the surface of multi-walled carbon nanotubes
In this work, we report a new well dispersed molybdenum complex attached through the mediation of aminopropylsilyl groups on the surface of multi-walled carbon nanotubes (MWCNTs). The prepared hybrid nanomaterial was characterized with different physicochemical methods such as Fourier transform infrared and atomic absorption spectroscopies, transmission electron microscopy, energy-dispersive X-...
متن کاملA DFT study of interaction of folic acid drug on functionalized single-walled Carbon Nanotubes
In this work, the structural and electronic properties of folic acid molecule on functionalized (7,0)zigzag single-walled carbon nanotube was studied in gas phase on the basis of density functionaltheory (DFT). Furthermore, covalent interaction of folic acid with single-walled carbon nanotube wasinvestigated and its quantum molecular descriptors and binding energies were calculated. The DFTB3LY...
متن کاملRadius Dependence of Hydrogen Storage Inside Single Walled Carbon Nanotubes in an Array
In this study, we have investigated radius dependence of hydrogen storage within armchair (n,n) single walled carbon nanotubes (SWCNT) in a square arrays. To this aim, we have employed equilibrium molecular dynamics (MD) simulation. Our simulations results reveal that radius of carbon nanotubes are an important and influent factor in hydrogen distribution inside carbon nanotubes and consequentl...
متن کاملMolecular Dynamics Investigation of The Elastic Constants and Moduli of Single Walled Carbon Nanotubes
Determination of the mechanical properties of carbon nanotubes is an essential step in their applications from macroscopic composites to nano-electro-mechanical systems. In this paper we report the results of a series of molecular dynamics simulations carried out to predict the elastic constants, i.e. the elements of the stiffness tensor, and the elastic moduli, namely the Young’s and shear mod...
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 کاملذخیره در منابع من
با ذخیره ی این منبع در منابع من، دسترسی به آن را برای استفاده های بعدی آسان تر کنید
برای دانلود متن کامل این مقاله و بیش از 32 میلیون مقاله دیگر ابتدا ثبت نام کنید
ثبت ناماگر عضو سایت هستید لطفا وارد حساب کاربری خود شوید
ورودعنوان ژورنال:
- Journal of the American Chemical Society
دوره 128 35 شماره
صفحات -
تاریخ انتشار 2006