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This chapter deals with charged polymers (polyelectrolytes) in solution and at surfaces. The behavior of polyelectrolytes is markedly different from that of neutral polymers. In bulk solutions, i.e. disregarding the surface effect, there…
The transient electric current of surfactants dissolved in a nonpolar solvent is investigated both experimentally and theoretically in the parallel-plate geometry. Due to a low concentration of free charges the cell can be completely…
We investigated the influence of oxygen on the performance of P3HT:PCBM (poly(3-hexylthiophene):[6,6]-phenyl C61 butyric acid methyl ester) solar cells by current--voltage, thermally stimulated current (TSC) and charge extraction by…
Quantum proton tunneling (QPT) in the two representative multi-electron/-proton transfer electrode processes, i.e. hydrogen evolution reaction (HER) and oxygen reduction reaction (ORR), was investigated by using polycrystalline platinum…
We investigate the reliability of simulations of polyelectrolyte systems in aqueous environments, simulations that are performed using an efficient multi scale coarse grained polarizable pseudo-particle particle approach, denoted as pppl,…
This is the first quantitative analysis of mechanical reliability of all-solid state batteries. Mechanical degradation of the solid electrolyte (SE) is caused by intercalation-induced expansion of the electrode particles, within the…
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…
Wetting of a charged substrate by an electrolyte solution is investigated by means of classical density functional theory applied to a lattice model. Within the present model the pure, i.e., salt-free solvent, for which all interactions are…
The dc response of an electrochemical thin film, such as the separator in a micro-battery, is analyzed by solving the Poisson-Nernst-Planck equations, subject to boundary conditions appropriate for an electrolytic/galvanic cell. The model…
Mechanical degradation of dilute solutions of polyethylene oxide (PEO) via chain scission was investigated within a turbulent pipe flow. Comparisons of the drag reduction performance with and without degradation were made by matching the…
During Precision Glass Molding (PGM), the molding tools have to withstand severe thermo-chemical and thermo-mechanical loads cyclically. To protect their high-quality optical surface against degradation and increase their service lifetime,…
Pd-Zn intermetallic catalysts show encouraging combinations of activity and selectivity on well-defined active site ensembles. Thermodynamic description of the Pd-Zn system, delineating phase boundaries, and enumerating site occupancies…
By employing large-scale molecular dynamics simulations of atomistically resolved oligoelectrolytes in aqueous solutions, we study in detail the first four layer-by-layer deposition cycles of an oligoelectrolyte multilayer made of…
A general physics-based model is developed for heterogeneous electrocatalysis in porous electrodes and used to predict and interpret the impedance of solid oxide fuel cells. This model describes the coupled processes of oxygen gas…
In this article, a novel implementation of a widely used pseudo-two-dimensional (P2D) model for lithium-ion battery simulation is presented with a transmission line circuit structure. This implementation represents an interplay between…
The effect of added salt on the propulsion of Janus platinum-polystyrene colloids in hydrogen peroxide solution is studied experimentally. It is found that micromolar quantities of potassium and silver nitrate salts reduce the swimming…
The acceleration of protons and electrons in a reconnecting current sheet (RCS) is simulated with a particle-in-cell (PIC) 2D3V code for the proton-to-electron mass ratio of 100. The electro-magnetic configuration forming the RCS…
When Si is anodically oxidized in a fluoride containing electrolyte, an oxide layer is grown. Simultaneously, the layer is etched by the fluoride containing electrolyte. The resulting stationary state exhibits a negative slope of the…
The dynamics of the electrons for a molecule in solution is coupled to the dynamics of its polarizable environment, i.e., the solvent. To theoretically investigate such electronic dynamics, we have recently developed equations of motion…
We present a coupled continuum formulation for the electrostatic, chemical, thermal, mechanical and fluid physics in battery materials. Our treatment is at the particle scale, at which the active particles held together by carbon-binders,…