In this work, the electronic properties of BP and CSi Nano cones have been investigated by self-consistent reaction field (SCRF) method in water solvent at B3PW91/6-31G (d,p) level of DFT theory for study of  for interactions of 5-Fluorouracil Anticancer Drug with theses Nano cones. The percent of change of energy gap (%ΔEg) shows that the complex formation of 5-Fluorouracil with BP ...

In this paper, we have studied the hydrogen adsorption onto CNCs and BNNCs nano-cones using GCMC simulations. The effects of length and cone apex angle on adsorption property have been investigated. Our results show that with increasing the pressure and decreasing the cone length and cone apex angle except for CNC-300˚, the hydrogen adsorption onto the BNNCs and CNCs was increased. It was also ...

The dielectric response of pentagonal defects in multilayer graphene nano-cones has been studied by electron energy loss spectroscopy and ab initio simulations. At the cone apex, a strong modification of the dielectric response is observed below the energy of the π plasmon resonance. This is attributed to π → π* interband transitions induced by topology-specific resonant π bonding states as wel...

The 1-, 2-, and 3-dimensional structures obtained from conjugated rings of carbon atoms are reviewed. They include finite small and large molecules (benzenoids, collarenes, beltenes, cyclacenes, cyclophenacenes, Möbius analogs, nanotori) and infinite macromolecules, nets and tilings (graphene, defected graphene, fractal benzenoids, nano-tubes, nano-cones, etc.). A few challenges for future expe...

The compressive resistance of truncated nanocone lattices produced by lithography and etching steps on Si or Ge wafers to get superhydrophobic antireflective light-transmitting windows, as well the protection efficiency alumina diamond coatings, is investigated numerical simulations elastic buckling, nanocompression tests. latter reveal limits an analysis, since stress at top cones high enough ...

Coupling a single quantum emitter, such as a fluorescent molecule or a quantum dot (QD), to a plasmonic nanostructure is an important issue in nano-optics and nano-spectroscopy, relevant for a wide range of applications, including tip-enhanced near-field optical microscopy, plasmon enhanced molecular sensing and spectroscopy, and nanophotonic amplifiers or nanolasers, to mention only a few. Whi...

The new laser method for nanostructures formation on a surface of semiconductors Si, Ge, GaAs and SiGe, CdZnTe solid solutions is proposed. For the first time was shown the possibility of graded band gap structure formation in elementary semiconductors. Thermogradient effect has a main role in initial stage of nano-cones and graded band gap structure formation by laser radiation in semiconductors.

Several unusual forms of natural graphite from an alkaline pegmatite that crosscuts rischorrite in the Hackman Valley, Khibiny Massif, Kola Peninsula, Russia are described. The graphite occurs macroscopically in two forms: as spherical aggregates up to 2 cm in diameter of friable, radially-aligned fibers ~20 μm in cross section, and as finegrained surface coatings in cavities covering aegirine,...