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One-dimensional (1D) van der Waals (vdW) heterostructures, formed between coaxial nanotubes of transition metal dichalcogenides (TMDCs), have emerged as a new area of endeavor in nanoscience. A key to designing and engineering the…

We study the binding energy, intertube distance and electronic structure of bundles consisting of single walled carbon nanotubes of the same chirality. We model various nanotube structures (chiralities) and orientations with van der Waals…

We study the effects of covalent functionalization of single wall carbon nanotubes (CNT) on their elastic properties. We consider simple organic molecules -NH, -NH2, -CH2, -CH3, -OH attached to CNTs' surface at various densities. The…

Tunneling density of states of both the massless and massive (gapped) particles in metallic carbon nanotubes is known to have anomalous energy dependence. This is the result of coupling to multiple low-energy bosonic excitation (plasmons).…

The work is devoted to investigation of the collective behavior of the regular rectangular lattices of the NiFe nanoparticles caused by the dipole-dipole interaction between them. The samples was prepared by the method of the electron…

Band theory predicts an inverse square root van Hove singularity in the tunneling density of states at the minimum energy of an unoccupied subband in a one-dimensional quantum wire. With interactions, an orthogonality catastrophe analogous…

We calculate the plasma excitations in a bundle as well as a two-dimensional (2D) periodic array of aligned parallel multishell nanotubes on a substrate. The carbon nanotubes are oriented perpendicular to the substrate. The model we use for…

Recently we investigated from first principles screening properties in systems where small molecules, characterized by a finite electronic dipole moment, are encapsulated into different nanocages. The most relevant result was the…

A mechanically bistable single-walled carbon nanotube can act as a variable-shaped capacitor with a voltage-controlled transition between collapsed and inflated states. This external control parameter provides a means to tune the system so…

The dc Josephson effect is investigated in a single-walled metallic carbon nanotube connected to two superconducting leads. In particular, by using the Luttinger liquid theory, we analyze the effects of the electron-electron interaction on…

Many printed electronic applications require strain-independent electrical properties to ensure deformation-independent performance. Thus, developing printed, flexible devices using 2D and other nanomaterials will require an understanding…

We develop a dimensional regularization approach to deal with the low-energy effects of the long-range Coulomb interaction in 1D electron systems. The method allows us to avoid the infrared singularities arising from the long-range Coulomb…

Using density functional theory, the electronic structures of single walled molybdenum disulfide nanotubes (MoS$_2$ NTs) were investigated as a function of diameter. Our calculations show that the electronic structure near the band gap is…

We present a theoretical study of the collective quasiparticle excitations responsible for the electromagnetic response of ultrathin plane-parallel homogeneous periodic single-wall carbon nanotube arrays and weakly inhomogeneous single-wall…

We present a systematic analysis of the effect of radial deformation on the atomic and electronic structure of zigzag and armchair single wall carbon nanotubes using the first principle plane wave method. The nanotubes were deformed by…

We have studied the discrete electronic spectrum of closed metallic nanotube quantum dots. At low temperatures, the stability diagrams show a very regular four-fold pattern that allows for the determination of the electron addition and…

We theoretically study the interplay between electrical and mechanical properties of suspended, doubly clamped carbon nanotubes in which charging effects dominate. In this geometry, the capacitance between the nanotube and the gate(s)…

Combining a classical force field, a tight-binding model, and first-principles calculations, we have studied structural, electronic, and optical properties of double-walled carbon nanotube (DWNT) bundles under hydrostatic pressure. We find…

ZnO/GaN alloys exhibit exceptional photocatalyst applications owing to the flexibly tunable band gaps that cover a wide range of the solar spectrum, and thus have attracted extensive attentions over the past few years. In this study,…

We evaluate the effects of heterogeneity on the density of states of H$_2$ molecules inside interstitial channels within bundles of carbon nanotubes. As temperature (T) falls, the density increases within those tubes having the greatest…