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The performance of gold nanoparticles (NPs) in applications depends critically on the structure of the NP-solvent interface, at which the electrostatic surface polarization is one of the key characteristics that affects hydration, ionic…

Chemical Physics · Physics 2021-09-20 Zhujie Li , Victor G. Ruiz , Matej Kanduč , Joachim Dzubiella

To better understand the capture process by a nanopore, we introduce an efficient Kinetic Monte Carlo (KMC) algorithm that can simulate long times and large system sizes by mapping the dynamic of a point-like particle in a 3D spherically…

Biological Physics · Physics 2021-03-22 Le Qiao , Maxime Ignacio , Gary W. Slater

Partitioning and transport of water and small solutes into and through nanopores is important to a variety of chemical and biological processes and applications. Here we study the partitioning of positive ions of increasing size into the…

Chemical Physics · Physics 2007-05-23 Lu Yang , Shekhar Garde

We have performed quantum Monte Carlo simulations measuring the finite size and temperature superfluid response of helium-4 to the linear and rotational motion of the walls of a nanopore. Within the two-fluid model, the portion of the…

Mesoscale and Nanoscale Physics · Physics 2013-09-04 B. Kulchytskyy , G. Gervais , A. Del Maestro

Based on the capillary pore model (space-charge theory) for combined fluid and ion flow through cylindrical nanopores or nanotubes, we derive the continuum equations modified to include wall slip. We focus on the ionic conductance and…

Chemical Physics · Physics 2016-03-31 J. Catalano , R. G. H. Lammertink , P. M. Biesheuvel

Modulating the electric potential on a conducting electrode is presented to generate an optical contrast for scattering microscopy that is sensitive to both surface charge and local topography. We dub this method…

Chemical Physics · Physics 2021-07-26 Zhu Zhang , Jie Yang , Cheng Lian , Sanli Faez

We develop a theory of charge storage in ultra-narrow slit-like pores of nano\-structured electrodes. Our analysis is based on the Blume-Capel model in external field, which we solve analytically on a Bethe lattice. The obtained solutions…

Soft Condensed Matter · Physics 2020-01-08 Maxym Dudka , Svyatoslav Kondrat , Olivier Bénichou , Alexei A. Kornyshev , Gleb Oshanin

Electrohydrodynamic modeling and experimental observations indicate that the ion evaporation current emitted by passively-fed electrospray sources is independent of the electrical conductivity of the ionic liquid. This contrasts with…

Applied Physics · Physics 2023-05-25 Ximo Gallud , Paulo C. Lozano

Solid-state nanopores are promising tools for single molecule detection of both DNA and proteins. In this study, we investigate the patterns of ionic current blockades as DNA translocates into or out of the geometric confinement of such…

Biological Physics · Physics 2017-04-05 Kaikai Chen , Nicholas A. W. Bell , Jinglin Kong , Yu Tian , Ulrich F. Keyser

In the recent experiments [Chmiola et al, Science 313, 1760 (2006); Largeot et al, J. Am. Chem. Soc. 130, 2730 (2008)] an anomalous increase of the capacitance with a decrease of the pore size of a carbon-based porous electric double-layer…

Soft Condensed Matter · Physics 2015-03-17 S. Kondrat , A. Kornyshev

This letter reports a charge transfer p-doping scheme which utilizes one-electron oxidizing molecules to obtain stable, unipolar carbon nanotube transistors with a self-aligned gate structure. This doping scheme allows one to improve…

Materials Science · Physics 2015-07-20 Jia Chen , Christian Klinke , Ali Afzali , Phaedon Avouris

We analyze in detail the electronic properties of high pressure hydrogen around the liquid-liquid phase transition based on Coupled Electron-Ion Monte Carlo calculations. Computing the off-diagonal single particle density matrix and the…

Materials Science · Physics 2022-01-26 Carlo Pierleoni , Giovanni Rillo , David M. Ceperley , Markus Holzmann

The influence of an intramolecular proton transfer reaction on the conductance of a molecular junction is investigated employing a generic model, which includes the effects of the electric field of the gate and leads electrodes and the…

Mesoscale and Nanoscale Physics · Physics 2017-03-08 Chriszandro Hofmeister , Pedro B. Coto , Michael Thoss

Performing Monte Carlo simulations we study the temperature dependent self--organization of magnetic moments coupled to itinerant electrons in a finite--size one--dimensional nanostructure proximitized to a superconducting reservoir. At low…

Mesoscale and Nanoscale Physics · Physics 2019-07-03 Anna Gorczyca-Goraj , Tadeusz Domanski , Maciej M. Maska

This theoretical study investigates the nonlinear ionic current-voltage characteristics of nano-channels that have weakly overlapping electrical double layers. Numerical simulations as well as a 1-D mathematical model are developed to…

Chemical Physics · Physics 2017-01-10 Yang Liu , Lingzi Guo , Xin Zhu , Qiushi Ran , Robert Dutton

Alcohol ferrofluids made of ferrimagnetic barium hexaferrite (BHF) nanoplatelets (NPLs) form a unique example of a dipolar fluid - a liquid magnet. Its formation is induced at a high enough concentration of the NPLs. The key interactions…

A kinetic model of the electron transfer at the electrode / electrolyte solution interface is developed, implemented in a Monte Carlo framework, and applied to simulate this process in idealised systems consisting of the primitive model of…

Electrical conductivity is an inherent property of a hydrophobic porous media (HPM) and has critical applications. This research aims to provide a solution for predicting the electrical conductivity of nanoscale HPM with heterogeneous pore…

Soft Condensed Matter · Physics 2021-05-31 Zhongliang Chen , Xiaohu Dong , Zhangxin Chen , Marc-Olivier Coppens

Electric dipoles of water molecules, enclosed singly in regularly spaced nanopores of a cordierite crystal, become ordered at low temperature due to their mutual interaction and show the frequency dependence of their dielectric…

Materials Science · Physics 2021-08-11 Veniamin A. Abalmasov

The question of if silica nanoparticles can enhance the ionic conductivity of a polymer electrolyte above its crystallization temperature has remained unclear for the two decades following the first experiments on these systems. We use…

Soft Condensed Matter · Physics 2024-02-29 Joel Martin Dalmas , Ambroise van Roekeghem , Natalio Mingo , Stefano Mossa