Related papers: Comments on structural types of toroidal carbon na…

It is shown that ternary qubit trees with the same number of nodes can be transformed by the naturally defined sequence of Clifford gates into each other or into standard representation as 1D chain corresponding to Jordan-Wigner transform.

The curvature dependence of the physisorption properties of a water molecule inside and outside an armchair carbon nanotube (CNTs) is investigated by an incremental density-fitting local coupled cluster treatment with single and double…

In this article some noncommutative topological objects such as NC mapping cone and NC mapping cylinder are introduced. We will see that these objects are equipped with the NCCW complex structure of [PEDERSEN]. As a generalization we…

Interactions between atoms of bound single-walled carbon nanotubes (SWNTs) are known to cause measurable distortion to the tube's original circular cross-section frame. High-resolution transmission electron microscope (TEM) investigation…

We use DFT to study the effect of molecular adsorbates on the conductance of metallic carbon nanotubes. The five molecules considered (NO2, NH2, H, COOH, OH) lead to similar scattering of the electrons. The adsorption of a single molecule…

We examine the structure of compact metal nanoparticles (NPs) forming polyhedral sections of face centered (fcc) and body centered (bcc) cubic lattices, which are confined by facets characterized by highly dense {100}, {110}, and {111}…

Careful research on different materials reveals that the material properties are mostly affected by the size of it. Material size down to nanometer scale exhibits some remarkable properties, resulting in unique physical and chemical…

The interactions between carbon nanotubes (CNTs) and metal adatoms as well as metal contacts are studied by means of ab initio electronic structure calculations. We show that the electronic properties of a semiconducting (8,4) CNT can be…

First-principles calculations through a FLAPW-GGA method for six possible polymorphs of ruthenium mononitride RuN with various atomic coordination numbers CNs: cubic zinc blende (ZB) and cooperite PtS-like structures with CNs = 4; cubic…

In this work, we report a theoretical coupled study of the structural and phonons properties of bundled single- and double-walled carbon nanotubes (DWNTs), under hydrostatic compression. Our results confirm drastic changes in volume of…

A method is introduced to isolate and measure the electrical transport properties of individual single-walled carbon nanotubes (SWNTs) aligned on an ST-cut quartz, from room temperature down to 2 K. The diameter and chirality of the…

Single wall carbon nanotubes (SWCNT) exhibit remarkable optical and electrical properties making them one of the most promising materials for next generation electronic and optoelectronic devices. Their electronic properties strongly depend…

The dependence of the energy of interwall interaction in double-walled carbon nanotubes (DWNT) on the relative position of walls has been calculated using the density functional method. This dependence is used to evaluate forces that are…

In this work, we perform a follow-up and comprehensive study on the structural details and formation mechanism of chemical vapor deposition (CVD) synthesized one-dimensional (1D) van der Waals heterostructures. Edge structures, nucleation…

Carbon nanoscrolls (CNSs) are nanomaterials with geometry resembling graphene layers rolled up into a spiral (papyrus-like) form. Effects of hydrogenation and temperature on the self-scrolling process of two nanoribbons interacting with a…

The heat flux autocorrelation functions of carbon nanotubes (CNTs) with different radius and lengths is calculated using equilibrium molecular dynamics. The thermal conductance of CNTs is also calculated using the Green-Kubo relation from…

In the present work we discuss based on extensive fully atomistic molecular dynamics simulations the dynamics of Neon atoms oscillating inside (5,5)single-walled carbon nanotubes (CNTs) and boron-nitride (BNNT) ones. Our results show that…

An eight-parametric family of complex connections on a class complex manifolds with Norden metric is introduced. The form of the curvature tensor with respect to each of these connections is obtained. The conformal group of the considered…

Using Molecular Dynamics approach we investigated the structure, dynamics of water confined inside pristine and charged 6,6 carbon nanotubes (CNTs). This study reports the breakdown of 1D water wires and the emergence of triangular faced…

Fibres of ultralong and aligned carbon nanotubes (CNT) have axial properties above reference engineering materials, proving to be exceptional materials for application in structural composites, energy storage and other devices. For CNT…