Related papers: Nitrogen clusters inside C60 cage and new nanoscal…
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…
We report the preparation of novel one-dimensional (1D) C60 nanostructures on rippled graphene. Through careful control of the subtle balance between the linear periodic potential of rippled graphene and the C60 surface mobility, we…
We searched the Spitzer Space Telescope data archive for Galactic planetary nebulae (PNe), that show the characteristic 17.4 and um features due to C60, also known as buckminsterfullerene. Out of 338 objects with Spitzer/IRS data, we found…
We offer a new theoretical interpretation for the effect of enhanced electron density at $^7$Be nucleus encapsulated in fullerene C$_{60}$. Our {\it{ab initio}} Hartree-Fock calculations show that electron density at the $^7$Be nucleus in…
We present a density-functional (DF) study of structures of Si cage clusters that encapsulate metal atoms. As a prototypical example, the case of WSi$_{n}$ clusters is shown. To obtain the low-energy clusters in efficient and unbiased ways,…
The radiative cooling rates of C$_N^+$ clusters ($N = 9, 11, 12, 17-27$) have been measured in the ultrahigh vacuum of an electrostatic storage ring to values on the order of $10^4$ s$^{-1}$. The rates were measured as a competing channel…
Metal-fullerene compounds are characterized by significant electron transfer to the fullerene cage, giving rise to an electric dipole moment. We use the method of electrostatic beam deflection to verify whether such reactions take place…
In the spherical coordinate system with the center in the center of the fullerene cage, the spherical coordinates of 20 carbon atoms forming the C20 cage have been calculated.
Alkali-doped fullerides exhibit a wealth of unusual phases that remain controversial by nature. Here we report a cryogenic scanning tunneling microscopy study of the sub-molecular structural and electronic properties of expanded fullerene…
We have investigated by means of high-pressure x-ray diffraction the structural stability of Pd2Mo3N, Ni2Mo3C0.52N0.48, Co3Mo3C0.62N0.38, and Fe3Mo3C. We have found that they remain stable in their ambient-pressure cubic phase at least up…
We demonstrate that by combining two robust theoretical quantum chemistry calculation techniques, stepwise ionization of C60 fullerene by UV and extreme UV photons can in principle occur up to a limit as high as q=+26 before coulomb…
We report on the hydrogen sorption investigation of the mixed alkali cluster intercalated fulleride series NaxLi6-xC60. These compounds are isostructural to Na6C60 and Li6C60 while the cubic lattice parameter is linearly dependent on x. The…
In this work, we perform first-principles calculations of the structural, electronic, vibrational and magnetic properties of a novel ${\rm C}_{48}{\rm N}_{12}$ azafullerene. Full geometrical optimization shows that ${\rm C}_{48}{\rm…
Stabilizing nitrogen-rich compound crystals under conventional conditions is a key issue in the development and application of high-energy density materials (HEDMs). Herein, a two-dimensional double-layer interlocked Li4(N5)2 nitrogen-rich…
Nanoclusters like fullerenes as the unit to build intriguing two-dimensional topological structures is of great challenge. Here we propose three bridged fullerene monolayers and comprehensively investigate the novel fullerene monolayer as…
The magnetic properties of carbon nanotube encapsulated nickel nanowires (C.E. nanowires of diameter ~ 10 nm), and its comparison to other forms of Ni are carried out in this work. The saturation magnetization (M_s) and coercivity (H_c) for…
Tight-binding molecular dynamic simulations have revealed that Si$_{12}$ is an icosahedron with all atoms on the surface of an approximately 5 \AA~ diameter sphere. This is the most spherical cage structure for silicon clusters in the 2-13…
The existence of a new two dimensional CN2 structure was predicted using ab-initio molecular dynamics (AIMD) and density-functional theory calculations. It consists tetragonal and hexagonal rings with C-N and N-N bonds arranged in a…
Unusual physical properties of single-wall carbon nanotubes have started a search for similar tubular structures of other elements. In this paper, we present a theoretical analysis of single-wall nanotubes of silicon and group III-V…
Hydrogen storage by physisorption in carbon based materials is hindered by low adsorption energies. In the last decade doping of carbon materials with alkali, earth alkali or other metal atoms was proposed as a means to enhance adsorption…