In this work, theoretical investigations on carbon nanotube with oxygen atom have been carried out by firstprinciplescalculations and density functional theory and hartree fock theory in 3-216 and 6-316 basis sets. Theinteraction energy of the oxygen atom to a CNT is calculated. The effects of this substitutions have beeninvestigated on the during transplantation (10,0) single-walled carbon nan...

Phonon runaway in carbon nanotube quantum dots" (2008). Other Nanotechnology Publications. Paper 93. We explore electronic transport in a nanotube quantum dot strongly coupled with vibrations and weakly with leads and the thermal environment. We show that the recent observation of anomalous conductance signatures in single-walled carbon nanotube quantum dots ͓B. can be understood quantitatively ...

Single-walled carbon nanotube (SWCNT) fibers were engineered to become a scaffold for the storage of hydrogen. Carbon nanotube fibers were swollen in oleum (fuming sulfuric acid), and organic spacer groups were covalently linked between the nanotubes using diazonium functionalization chemistry to provide 3-dimensional (3-D) frameworks for the adsorption of hydrogen molecules. These 3-D nanoengi...

Related Articles Improving the field emission of carbon nanotubes by lanthanum-hexaboride nano-particles decoration Appl. Phys. Lett. 101, 123116 (2012) Catalyst-free synthesis of reduced graphene oxide–carbon nanotube hybrid materials by acetylene-assisted annealing graphene oxide Appl. Phys. Lett. 101, 123107 (2012) First-principles study of O-BN: A sp3-bonding boron nitride allotrope J. Appl...

The interaction between some heavy metal ions such as of Pb(II), Cd(II) and Cu(II) ions from aqueous solution adsorbed by single walled carbon nanotube (SWCNTs) and carboxylate group functionalized single walled carbon nanotube (SWCNT-COOH) surfaces were studied by atomic absorption spectroscopy. The effect of contact time, pH, initial concentration of ion, ionic strength and temperature on the...

The electronic densities of states of atomically resolved single-walled carbon nanotubes have been investigated using scanning tunneling microscopy. Peaks in the density of states due to the one-dimensional nanotube band structure have been characterized and compared with tight-binding calculations. In addition, tunneling spectroscopy measurements recorded along the axis of an atomically resolv...

The interplay between local mechanical strain energy and lateral frictional forces determines the shape of carbon nanotubes on substrates. In turn, because of its nanometer-size diameter, the shape of a carbon nanotube strongly influences its local electronic, chemical, and mechanical properties. Few, if any, methods exist for resolving the strain energy and static frictional forces along the l...

In recent years there has been tremendous research advances made in the scientific base for carbon nanotubes, and this has enabled significant improvements in the technology of carbon nanotube-based composites. The interplay between basic science and engineering has resulted in some of the most exciting accomplishments in the development of multifunctional materials. This paper highlights these...

Towards the development of a useful mechanism for hydrogen storage, we have studied the hydrogenation of single-walled carbon nanotubes with atomic hydrogen using core-level photoelectron spectroscopy and x-ray absorption spectroscopy. We find that atomic hydrogen creates C-H bonds with the carbon atoms in the nanotube walls, and such C-H bonds can be completely broken by heating to 600 degrees...

We employ density-functional plane-wave ab initio and tight-binding methods to study the adsorption and migration of carbon adatoms on single-walled carbon nanotubes. We show that the adatom adsorption and migration energies strongly depend on the nanotube diameter and chirality, which makes the model of the carbon adatom on a flat graphene sheet inappropriate. Calculated migration energies for...