Basic configuration of a single-wall carbon nanotube <Emphasis Type="Italic">Y</Emphasis> junction of <Emphasis Type="Italic">D</Emphasis><Subscript>3<Emphasis Type="Italic">h</Emphasis></Subscript> symmetry: Structure and classification

The structure of single-wall carbon nanotube Y junctions of symmetry D_3h containing topological defects in the form of six heptagons or three octagons located immediately in the junction region of each pair of nanotubes forming the Y junctions is investigated, and their classification is suggested. It is shown that the pairs of heptagons in a Y junction formed by nanotubes of the “zigzag” type can be arranged in two ways and can be transformed into one another by using the (6, 7, 7, 6) ? (7, 6, 7, 6) Stone-Wales transformation and that the octagon and pairs of heptagons in a Y junction formed by nanotubes of the “armchair” type can be transformed into one another by introducing or removing a C₂ cluster. A method for constructing such Y junctions is suggested.     

A new class of MO<Subscript>2</Subscript> dioxide nanotubes (M=Si,Ge, Sn,Pb) composed of “square” lattices of atoms: Their structure and energy characteristics

New dioxide nanotubes are described. These nanotubes are rolled up of a “square” lattice of atoms differing from the conventional hexagonal lattice isoelectronic to graphite. The dependence of the strain energy on the nanotube diameter D departs from a 1/D² behavior, and the optimum shape at the same diameter corresponds to “zigzag” tubelenes. Two-layer nanotubes consisting of an MO₂ layer bonded to a carbon nanotube (CNT) are characterized by a considerably lower strain energy, which points to the possibility of using CNTs as a template for the synthesis of such MO₂ nanotubes.     

Rectification properties of carbon nanotube "Y-junctions"

Quantum conductivity of single-wall carbon nanotube Y-junctions is calculated. The current versus voltage characteristics of these junctions show asymmetry and rectification, in agreement with recent experimental results. Furthermore, rectification is found to be independent of the angle between the branches of these junctions, indicating this to be an intrinsic property of symmetric Y-junctions. The implications for the Y-junction to function as a nanoscale molecular electronic switch are investigated.     

Erratum to: Several Articles in JETP Letters

JETP Letters - An Erratum to this paper has been published: https://doi.org/10.1134/S002136402234001X     

Bigraphene nanomeshes: Structure,properties, and formation

New carbon structures of nanomeshes have been considered, which are formed from bilayer graphene by cutting hexagonal holes in it. Edges of these holes by joining chemically active atoms, transforming into folds of graphene, form a closed structure of sp ₂ hybridized C atoms. The structure and electron properties of several typical nanomeshes, which are superlattices made of joined nanotube and bigraphene fragments, have been studied. Their stability and essential difference of the electronic band structure from those of their analogs-monolayer graphene nanomeshes—have been demonstrated.     

Formation,structure, and properties of “welded” <Emphasis Type="Italic">h</Emphasis>-BN/graphene compounds

Structures of h-BN/graphene with holes where atoms at the edges are bonded to each other by sp² hybridized C–B and C–N bonds and form continuous junctions from layer to layer with topological defects inside holes have been considered. Their formation, as well as the moiré-type stable atomic structure of such compounds (with different rotation angles of graphene with respect to the hexagonal boron nitride monolayer) with closed hexagonal holes in the AA centers of packing of the moiré superlattice, has been studied. The stability, as well as the electronic and mechanical properties, of such bilayer BN/graphene nanomeshes has been analyzed within electron density functional theory. It has been shown that they have semiconducting properties. Their electronic band structures and mechanical characteristics differ from the respective properties of separate monolayer nanomeshes with the same geometry and arrangement of holes.     

Effect of high-pressure high-temperature treatment on the structure of a hexagonal modification of fullerite C<Subscript>60</Subscript>

Powder X-ray diffraction, X-ray photoelectron spectroscopy, Raman spectroscopy, and molecular dynamics have been employed to investigate structural transformations in hexagonal and cubic modifications of fullerite C₆₀ after the action of high pressure (4 GPa) within the temperature range 20–1450°C. It has been found that fullerene molecules polymerize to afford polymer structures only in the case of face-centered cubic samples. Under the effect of high pressure and temperature, fullerite C₆₀ with a hexagonal close-packed structure is initially transformed into the cubic modification and, then, forms polymerized structures, which, during an increase in the treatment temperature, become less stable and ordered than the same polymerized structures obtained directly from cubic fullerite C₆₀. X-ray photoelectron spectroscopy measurements suggest deformation of the cages of fullerene molecules in the polymerized structures.