Related papers: Screening and antiscreening effects in endohedral …
We investigate through non-equilibrium Molecular Dynamics simulations the structure and flow of fluids in functionalized nanopores. The nanopores are modeled as cylindrical structures with solvophilic and solvophobic sites. Two fluids are…
Dimensions and molecular structure play pivotal roles in the principle of heat conduction. The dimensional characteristics of solution within nanoscale systems depend on the degrees of confinement. However, the influence of such variations…
The thermodynamics of adsorption of light alkanes and alkenes (CH4, C2H6, C2H4, C3H8, and C3H6) in single-walled carbon nanotube bundles is studied by configurational-bias grand canonical Monte Carlo simulation. The bundles consist of…
Although wettability is a macroscopic manifestation of molecular-level forces, such as van der Waals (vdW) forces, the impact of nanoconfinement on material properties in reduced film thickness remains unexplored in predicting film…
Finite-difference time-domain method is employed to investigate the optical properties of semiconductor thin films patterned with circular holes. The presence of holes enhances the coupling of the incident plane wave with the thin film and…
The concept of mechanical screening is widely applied in solid-state systems. Examples include nucleation of defects in crystalline materials, scars and pleats in curved crystals, wrinkles in strongly confined thin sheets, and…
The energy absorption on nanometer scale is vital for many bio and chemical systems. We report here that a two times amplification in absorption efficiency can be achieved by water molecules confined in carbon nanotubes with small radius,…
High-index dielectrics can confine light into nano-scale leading to enhanced nonlinear response. However, increased momentum in these media can deteriorate the overlap between different harmonics which hinders efficient nonlinear…
Epitaxial NdBa2Cu3O7-x films with a hybrid nanoscale defect structure comprised of BaZrO3 nanodot arrays aligned along the c-axis in one half of the film thickness and aligned perpendicular to the c-axis in the other half thickness of the…
Nanoscale size-effects drastically alter the fundamental properties of semiconductors. Here, we investigate the dominant role of quantum confinement in the field-effect device properties of free-standing InAs nanomembranes with varied…
Nanostructures have become an attractive subject due to many applications, particularly the photonic bandgap effect observed in photonic crystals. Nevertheless, the fabrication of such structures remains a challenge because of accurate…
Microbullet particles, cylinders with one blunt and one spherical end, offer a novel platform to study the effects of anisotropy and curvature on colloidal assembly in complex fluids. Here, we disperse microbullets in…
Mechanical deformations, either spontaneously occurring during sample preparation or purposely induced in their nanoscale manipulation, drastically affect the electronic and optical properties of transition metal dichalcogenide monolayers.…
The combination of large spontaneous polarization and fluidity makes the newly discovered ferroelectric nematic liquid crystalline phase (NF) responsive to electric fields in ways that have no counterpart in other materials. We probe this…
The recent discovery of superconductivity in infinite-layer nickelate films has aroused great interest since it provides a new platform to explore the mechanism of high-temperature superconductivity. However, superconductivity only appears…
We demonstrate scaffolding of plasmonic nanoparticles by topological defects induced by colloidal microspheres to match their surface boundary conditions with a uniform far-field alignment in a liquid crystal host. Displacing energetically…
By combining ab initio all-electron localized orbital and pseudopotential plane-wave approaches we report on calculations of the electron affinity (EA) and the ionization potential (IP) of (5, 5) and (7, 0) single-wall carbon nanotubes. The…
We explore the behavior of neon, xenon, and methane filmas adsorbed on the external surface of a bundle of carbon nanotubes. The methods used are classical: a ground state calculation, by grand potential energy minimization, and the grand…
Assemblies of magnetic nanoparticles exhibit interesting physical properties arising from the competition of intraparticle dynamics and interparticle interactions. In ordered arrays of magnetic nanoparticles magnetostatic interparticle…
Two paramount challenges in carbon nanotube research are achieving chirality-controlled synthesis and understanding chirality-dependent device physics. High-throughput and in-situ chirality and electronic structural characterization of…