相关论文: Magnetic fullerenes inside single-wall carbon nano…

We studied the temperature stability of the endohedral fullerene molecule, N@C60, inside single-wall carbon nanotubes using electron spin resonance spectroscopy. We found that the nitrogen escapes at higher temperatures in the encapsulated…

Filling of single-wall carbon nanotubes with C59N azafullerene derivatives is reported from toluene solvent at ambient temperature. The filling is characterized by high resolution transmission electron microscopy and Raman spectroscopy. The…

High filling of single wall carbon nanotubes (SWCNT) with C$_{60}$ and C$_{70}$ fullerenes in solvent is reported at temperatures as low as 69 $^{o}$C. A 2 hour long refluxing in n-hexane of the mixture of the fullerene and SWCNT results in…

We report on the spin dynamics of 13C isotope enriched inner-walls in double-wall carbon nanotubes (DWCNT) using 13C nuclear magnetic resonance (NMR). Contrary to expectations, we find that our data set implies that the spin-lattice…

The magnetic properties of carbon nanotube encapsulated nickel nanowires (C.E. nanowires of diameter ~ 10 nm), and its comparison to other forms of Ni are carried out in this work. The saturation magnetization (M_s) and coercivity (H_c) for…

We report the filling of single walled carbon nanotubes with an electron spin-active fullerene species where a nitroxide radical is functionalized on the fullerene cage. High resolution transmission electron microscopy (HRTEM), optical…

The hollow inside of single-wall carbon nanotubes (SWCNT) provides a unique degree of freedom to investigate chemical reactions inside this confined environment and to study the tube properties. It is reviewed herein, how encapsulating…

The current paper presents the second part of the study devoted to composites formed by fullerene C60 and single-walled carbon nanotube ([C60-(4,4)] carbon nanobud). The formation of composites is considered from the basic points related to…

Carbon nanotubes can serve as one-dimensional nanoreactors for the in-tube synthesis of various nanostructures. Experimental observations have shown that chains, inner tubes, or nanoribbons can grow by the thermal decomposition of…

Fullerene coalescence experimentally found in fullerene-embedded single-wall nanotubes under electron-beam irradiation or heat treatment is simulated by minimizing the classical action for many atom systems. The dynamical trajectory for…

The conduction of a single-wall carbon nanotube depends on the pitch. If there are an integral number of carbon hexagons per pitch, then the system is periodic along the tube axis and allows "holes" (, and not "electrons",) to move inside…

We analyze a new family of carbon nanotube-based molecular wires, formed by encapsulating metallocene molecules inside the nanotubes. Our simulations, that are based on a combination of non-equilibrium Green function techniques and density…

Fullerene peapods, that is carbon nanotubes encapsulating fullerene molecules, can offer enhanced functionality with respect to empty nanotubes. However, the present incomplete understanding of how a nanotube is affected by entrapped…

Structural and energy characteristics of the smallest magnetic endofullerene Fe@C20 have been calculated using the density functional theory approach. The ground state of Fe@C20 is found to be a septet state, and the magnetic moment of…

Single-walled carbon nanotubes (SWCNTs) in their pristine form have high thermal conductivity whose further improvement has attracted a lot of interest. Some theoretical studies have suggested that the thermal conductivity of a $(10,10)$…

A quantum dot formed in a suspended carbon nanotube exposed to an external magnetic field is predicted to act as a thermoelectric unipolar spin battery which generates pure spin current. The built-in spin flip mechanism is a consequence of…

This work considers the g-tensor anisotropy induced by the flexural thermal vibrations in one-dimensional structures and its role in electron spin relaxation. In particular, the mechanism of spin-lattice relaxation via flexural modes is…

The influence of a fullerene molecule trapped inside a single-wall carbon nanotube on resonant electron transport at low temperatures and strong polaronic coupling is theoretically discussed. Strong peak to peak fluctuations and anomalous…

Using the first-principles spin density functional approach, we have studied magnetism of a new type of all-carbon nanomaterials, i.e., the carbon nanowires inserted into the single-walled carbon nanotubes. It is found that if the 1D carbon…

This study presents the first-ever investigation of spin-phonon coupling mechanisms in fullerene-based single-molecule magnets (SMMs) using ab initio CASSCF combined with DFT calculations. While lanthanide-based SMMs, particularly those…