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Graphene nanoribbons (GNR) in mutually perpendicular electric and magnetic fields are shown to exhibit dramatic changes in their band structure and electron transport properties. A strong electric field across the ribbon induces multiple…
The effects of water wetting conditions on the transport properties of molecular nano-junctions are investigated theoretically by using a combination of classical molecular dynamics and first principles electronic transport calculations.…
We report measurements of the electron transport through atomic-scale constrictions and tunnel junctions between ferromagnetic electrodes. Structures are fabricated using a combination of e-beam lithography and controlled electromigration.…
Towards a novel magnetoresistance (MR) device with a carbon nanotube, we propose ``nonmagnetic metal/zigzag nanotube encapsulating magnetic atoms/nonmagnetic metal'' junctions. We theoretically investigate how spin-polarized edges of the…
In this work we show, by means of a density functional theory formalism, that the simple physical contact between hydrogen terminated boron nitride surfaces gives rise to a metallic interface with free carries of opposite sign at each…
Nonreciprocity of supercurrents may exist when both spatial inversion and time-reversal symmetries are broken, leading to the supercurrent diode effect (SDE). The spatial inversion symmetry may be broken by chiral structures in nanotubes…
Because of their natural one-dimensional (1D) structure combined with intricate chiral variations, carbon nanotubes (CNTs) exhibit various exceptional physical properties, such as ultrahigh electrical and thermal conductivity, exceptional…
Fast pairwise conversions of neutrinos may affect the flavor distribution in the core of neutrino-dense sources. We explore the interplay between collisions and fast conversions within a simplified framework that assumes angle-independent,…
First-principles investigations on the edge energies and edge stresses of single-layer hexagonal boron-nitride (BN) are presented. The armchair edges of BN nanoribbons (BNNRs) are more stable in energy than zigzag ones. Armchair BNNRs are…
We investigate the effects of chirality on phonon thermal transport in semiconducting chiral single-walled carbon nanotubes (SWCNTs) using lattice dynamics combined with Boltzmann transport theory. We find that transverse acoustic and…
Well-known conductive molecular wires, like cumulene or polyyne, provide a model for interconnecting molecular electronics circuit. In the recent experiment, the appearance of carbon wire bridging two-dimensional electrodes - graphene…
The rapid progress on MgB2 superconductor since its discovery[1] has made this material a strong competitor to low and high temperature superconductors (HTS) for applications with a great potential to catch the niche market such as in…
Molecular dynamics simulations of coaxial carbon nanotubes in relative sliding motion reveal a striking enhancement of friction when phonons whose group velocity is close to the sliding velocity of the nanotubes are resonantly excited. The…
This paper describes atomistic simulations of deformation and fracture of Al reinforced with carbon nanotubes (CNTs). We use density functional theory (DFT) to understand the energetics of Al-graphene interfaces and gain reference data for…
Carbon nanotubes (CNT) have a very large application potential in the rapid developing field of molecular electronics. Infinite single-wall metallic CNTs have theoretically a conductance of 4e2/h because of the two electronic bands crossing…
We investigate bilayers of nanoporous graphene (NPG), laterally bonded carbon nanoribbons, and graphene. The electronic and transport properties are explored as a function of the interlayer twist angle using an atomistic tight-binding model…
We investigated a suspended bilayer graphene where the bottom (top) layer is doped by boron (nitrogen) substitutional atoms by using Density Functional Theory (DFT) calculations. We found that at high dopant concentration (one B-N pair…
This comprehensive study investigates charge transport through the multiple end zigzag edge states of finite-size armchair graphene nanoribbons/boron nitride nanoribbons (n-AGNR/w-BNNR) junctions under a longitudinal electric field, where n…
We report on the nano-electron beam assisted fabrication of atomically sharp iron-based tips and on the creation of a nano-soldering iron for nano-interconnects using Fe-filled multiwalled carbon nanotubes (MWCNTs). High energy electron…
High quality graphene nanoribbons (GNRs) grown by on-surface synthesis strategies with atomic precision can be controllably doped by inserting heteroatoms or chemical groups in the molecular precursors. Here, we study the electronic…