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Density functional theory and density functional tight-binding are applied to model electron transport in copper nanowires of approximately 1 nm and 3 nm diameters with varying crystal orientation and surface termination. The copper…
Nanopores spanning synthetic membranes have been used as key components in proof-of-principle nanofluidic applications, particularly those involving manipulation of biomolecules or sequencing of DNA. The only practical way of manipulating…
We develop a simulational methodology allowing for simulation of the pressure-driven flow in the pore with flat and polymer-modified walls. Our approach is based on dissipative particle dynamics and we combine earlier ideas of fluid-like…
This study employs modified Poisson-Boltzmann theory to systematically investigate the influence of zwitterionic osmolyte additives to an electrolyte solution on disjoining pressure and electric differential capacitance within charged…
We consider an anisotropically two-dimensional diffusion of a charged molecule (particle) through a large biological channel under an external voltage. The channel is modeled as a cylinder of three structure parameters: radius, length, and…
In recent years, single element two-dimensional atom crystal materials have aroused extensive interest in many applications. Blue phosphorus, successfully synthesized on Au substrate by molecular beam epitaxy not long ago, shows unusual…
The transport and distribution of charged particles are crucial in the study of many physical and biological problems. In this paper, we employ an Energy Variational Approach to derive the coupled Poisson-Nernst-Planck-Navier-Stokes system.…
A flexible multi-parameter exactly solvable model of potential profile, containing an arbitrary number of continuous smoothly shaped barriers and wells, both equal or unequal, characterized by finite values and continuous profiles of the…
It has been suggested that microtubules and other cytoskeletal filaments may act as electrical transmission lines. An electrical circuit model of the microtubule is constructed incorporating features of its cylindrical structure with…
Electrochemical phenomena in biology often unfold in confined geometries where micrometer- to millimeter-scale domains coexist with nanometer-scale interfacial diffuse charge layers. We analyze a model lipid membrane-electrolyte system…
Exact calculations of transmission and reflection coefficients in surface randomly corrugated optical waveguides are presented. As the length of the corrugated part of the waveguide increases, there is a strong preference to forward…
We study the time evolution and driven motion of thin liquid films lying on top of chemical patterns on a substrate. Lattice-Boltzmann and molecular dynamics methods are used for simulations of the flow of microscopic and nanoscopic films,…
The electrostatic potential across a short ballistic molecular conductor depends sensitively on the geometry of its environment, and can affect its conduction significantly by influencing its energy levels and wave functions. We illustrate…
Porous graphene has high mechanical strength and atomic layer thickness, which make it a promising material for material separation and biomolecule sensing. Electrostatic interactions between charges in aqueous solution are a kind of strong…
A rotating particle in electrorheological (ER) fluid leads to a displacement of its polarization charges on the surface which relax towards the external applied field ${\bf E}_0$, resulting in a steady-state polarization at an angle with…
Centimeter scale aligned carbon nanotube arrays are grown from nanoparticle metal catalyst pads. We find the nanotubes grow both with and against the wind. A metal underlayer provides in-situ electrical contact to these long nanotubes with…
We have fabricated Pt-containing granular metals by focused electron beam induced deposition from the $(CH_3)_3CH_3C_5H_4Pt$ precursor gas. The granular metals are made of platinum nanocrystallites embedded in a carbonaceous matrix. We have…
Partially overlapping two parallel armchair nanotubes are investigated theoretically with the $\pi$ orbital tight bonding model. Considering the interlayer Hamiltonian as perturbation, we obtain approximate analytical formulas of the…
Geometric symmetries cause orbital degeneracies in a molecule's spectrum. In a single-molecule junction, these degeneracies are lifted by various symmetry-breaking effects. We study quantum transport through such nanostructures with an…
We study the effects of solute interactions on osmotic transport through pores. By extending single-file, single-species kinetic models to include entrance of solute into membrane pores, we model the statistical mechanics of competitive…