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We report a multiscale modeling study for charged cylindrical nanopores using three modeling levels that include (1) an all-atom explicit-water model studied with molecular dynamics (MD), and reduced models with implicit water containing…
Ion transport through charged nanopores is commonly interpreted in terms of electrical double layer structure, leading to the expectation of cation-selective conduction in negatively charged pores. This picture can break down for…
Nanoporous supercapacitors play an important role in modern energy storage systems, and their modeling is essential to predict and optimize the charging behaviour. Two classes of models have been developed that consist of finite and…
Induced-charge electro-osmosis (ICEO) is shown to control the length scale of the diffusion layer (DL), which in turn, affects the diffusion limited ion transport through the microchannel-Nafion membrane system. The ICEO vortices form at an…
Asymmetric behaviors of capacitance and charging dynamics in the cathode and anode are general for nanoporous supercapacitors. Understanding this behavior is essential for the optimal design of supercapacitors. Herein, we perform…
Nanofluidic systems show great promises for applications in energy conversion, where their performance can be enhanced by nanoscale liquid-solid slip. However, efficiency is also controlled by surface charge, which is known to reduce slip.…
For distances less 10 nm, a total energy transfer occurs from a quantum emitter to a nearby metallic surface, producing evanescent surface waves that are plasmonic in nature. When investigating a metallic nanohole supported on an optically…
We present a quantum-mechanical model for surface-assisted carrier excitation by optical fields in plasmonic nanostructures of arbitrary shape. We derive an explicit expression, in terms of local fields inside the metal structure, for…
The theory of electrokinetic ion transport in cylindrical channels of a fixed surface charge density is revisited. Attention is focused on impact of the hydrophobic slippage and mobility of adsorbed surface charges. We formulate generalised…
The applications of plasmonics to energy transfer from free-space radiation to molecules are currently limited to the visible region of the electromagnetic spectrum due to the intrinsic optical properties of bulk noble metals that support…
The optimal functioning of nanopore-based biosensing tools necessitates rapid polymer capture from the ion reservoir. We identify an ionic correlation-induced transport mechanism that provides this condition without the chemical…
The present study deals with the effect of ionic advection on electroosmotic flow over charge modulated surfaces in a generalized paradigm when the classically restrictive "weak field" limit may be relaxed. Going beyond the commonly…
Single nanopores have attracted much scientific interest due to their versatile applications. The majority of experiments have been performed with nanopores being in contact with the same electrolyte on both sides of the membrane, while…
We examine theoretically porous membranes in aqueous mixtures. We show that large membrane pores can be reversibly gated from `off' (co-solvent-rich, poor conductor of ions and other solutes) to 'on' (water-rich, good conductor) states by…
It has been suggested that superhydrophobic surfaces, due to the presence of a no-shear zone, can greatly enhance transport of surface charges, leading to a considerable increase in the streaming potential. This could find potential use in…
By performing spectroscopic single-particle measurements at cryogenic temperatures over the course of hours we study %By performing spectroscopic longtime single-particle measurements at cryogenic temperatures we study both the spectral…
In solid-state nanopores, achieving reliable control over pore aperture opening and closing (gating) remains a major challenge. Gating can be driven by the applied voltage involving electrically tunable chemical reactions, achieved by…
To simulate the transient enhanced diffusion near the surface or interface, a set of equations describing the impurity diffusion and quasichemical reactions of dopant atoms and point defects in ion-implanted layers is proposed and analyzed.…
Continuum simulations become an important tool to uncover the mysteries in nanofluidic experiments. However, fluid flow in simulation models is usually unconsidered. Here, systematical simulations are conducted to provide a quantitative…
The transport of low-energy electrons through the coating of a radiosensitizing metallic nanoparticle under fast ion irradiation is analyzed theoretically and numerically. As a case study, we consider a poly(ethylene glycol)-coated gold…