Related papers: Multiscale simulations of three-dimensional nanotu…
The paper aims at the development of a digital twin modelling the electrical conductivity of multi-wall carbon nanotube (MWCNT)/polymer nanocomposite. A comparative analysis is conducted for various formulations of boundary conditions in…
The reduction of the thermal conductivity in nanostructures opens up the possibility of exploiting for thermoelectric purposes also materials such as silicon, which are cheap, available and sustainable but with a high thermal conductivity…
The aim of this paper is to propose a new numerical model to simulate 2D vesicles interacting with a newtonian fluid. The inextensible membrane is modeled by a chain of circular rigid particles which are maintained in cohesion by using two…
The inclusion and encapsulation of terthiophene (T3) molecules inside zigzag single-walled carbon nanotubes (CNTs) is addressed by density functional calculations. We consider the T3 molecule inside five semiconducting CNTs with diameters…
Quantum sensing techniques have been successful in pushing the sensitivity limits in numerous fields, and hold great promise for scanning probes that study nano-scale devices and novel materials. However, forming a nano-scale qubit that is…
We report the successful synthesis of nanotubules of thermoelectric materials gamma-NaxCoO2 using two different sol-gel routes aided by porous anodized aluminium oxide (AAO) membrane as supporting templates. The gamma-NaxCoO2 nanotubule…
We use computational screening to systematically investigate the use of transition metal doped carbon nanotubes for chemical gas sensing. For a set of relevant target molecules (CO, NH3, H2S) and the main components of air (N2, O2, H2O), we…
In this paper, we study network representation learning for tripartite heterogeneous networks which learns node representation features for networks with three types of node entities. We argue that tripartite networks are common in real…
The orientation of water molecules is the key factor for the fast transport of water in small nanotubes. It has been accepted that the bidirectional water burst in short nanotubes can be transformed into unidirectional transport when the…
In a recent paper Liang {\it et al.} [Nature {\bf 411}, 665 (2001)] showed experimentally, that metallic nanotubes, strongly coupled to external electrodes, may act as coherent molecular waveguides for electronic transport. The experimental…
This paper introduces a new approach for simulating magnetic properties of nanocomposites comprising magnetic particles embedded in a non-magnetic matrix, taking into account the 3D structure of the system in which particles' positions…
We used two-dimensional Finte-Difference-Time-Domain (FDTD) software to study the transition behavior of nano-particles from scatterers to an optically uniform medium. We measured the transmission efficiency of the dipole source, which is…
This study presents a simplified FEM modeling approach suitable for large structures made of corrugated boards, such as customized packages, based on a homogenization method, which is combined with correction factors for internal…
A new nanoscale device for fluctuation-enhanced sensing is proposed.
We investigate the electronic properties of semi-metallic (12,0) carbon nanotubes in the presence of a variety of mono-, di- and hexa-vacancy defects, by using first principle DFT combined with non-equilibrium Green's function technique. We…
An overview is presented of the various phases predicted to occur when gases are absorbed within a bundle of carbon nanotubes. The behavior may be characterized by an effective dimensionality, which depends on the species and the…
In the last two decades, a nanostructuring paradigm has been successfully applied in a wide range of thermoelectric materials, resulting in significant reduction in thermal conductivity and superior thermoelectric performance. These…
The practical realization of nano-scale electronics faces two major challenges: the precise engineering of the building blocks and their assembly into functional circuits. In spite of the exceptional electronic properties of carbon…
Electronic many-body correlation effects in one-dimensional (1D) systems such as carbon nanotubes have been predicted to modify strongly the nature of photoexcited states. Here we directly probe this effect using broadband elastic light…
We develop an electron transport theory for the hybrid system of a semiconducting carbon nanotube that encapsulates a one-atom-thick metallic wire. The theory predicts Fano resonances in electron transport through the system, whereby the…