Related papers: Study of voltage cycling conditions on Pt oxidatio…
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…
Although significant insights have been obtained into chemical and physical properties that govern to the performance of catalysts in traditional thermal processes, the work on electro-, photo-, or plasma-catalytic approaches has been…
Previous studies of reverse-bias stability in perovskite solar cells have focused primarily on voltage controlled reverse-bias tests. Here we instead present an investigation of perovskite solar cell degradation under well-defined, constant…
The acceleration of polarized electron beams in the blowout regime of plasma-based acceleration is explored. An analytical model for the spin precession of single beam electrons, and depolarization rates of zero emittance electron beams, is…
The nanoscopic mass and charge distribution within the double layer at electrified interfaces plays a key role in electrochemical phenomena of huge technological relevance for energy production and conversion. However, in spite of its…
Semipermeable silica membranes are attractive as protective coatings for metal electrocatalysts such as platinum but their impact on the catalytic properties has not been fully understood. Here, we develop a first principles formalism to…
Platinum, to date, is the most widely applied electrocatalyst for hydrogen evolution reaction (HER) in acidic media. It is assumed to be a proton-blocking catalyst with only surface-limited adsorption of the reaction intermediates. Here, we…
The behavior of a polyelectrolyte adsorbed on a charged surface of high-dielectric constant is studied by both Monte-Carlo simulation and analytical methods. It is found that in a low ionic strength medium, the transition is first-order…
This paper presents the current state of mathematical modelling of the electrochemical behaviour of lithium-ion batteries as they are charged and discharged. It reviews the models developed by Newman and co-workers, both in the cases of…
Beyond active material intrinsic properties, the electrode manufacturing process is a crucial step to reach high energy density and long-life of Li-ion batteries. In particular, very high pressures are applied to the electrode during the…
This paper presents a novel battery modeling framework based on the enhanced single particle model (ESPM) to account for degradation mechanisms of second-life batteries. While accounting for the transport and electrochemical phenomena in…
We study the electrode polarization behaviour of different Na-Ca-phosphosilicate glasses by measuring the differential capacitance between blocking Pt electrodes. At low applied dc bias voltages, we detect a linear capacitance regime with…
We reformulate and extend porous electrode theory for non-ideal active materials, including those capable of phase transformations. Using principles of non-equilibrium thermodynamics, we relate the cell voltage, ionic fluxes, and Faradaic…
We consider the simplified dielectric breakage model used for simulation of the kinetics of cellular material breakage under the pulsed electric field (PEF) treatment. The model is based on an effective media approximation, which includes…
A theoretical model is developed for predicting dynamic polymer depletion effects under the influence of fluid flow. The results are established by combining the two-fluid model and the self-consistent field theory. We consider a uniform…
Accurate tracking of the internal electrochemical states of lithium-ion battery during cycling enables advanced battery management systems to operate the battery safely and maintain high performance while minimizing battery degradation. To…
Diffusion-driven processes are important phenomena of materials science in the field of energy conversion and transmission. During the conversion from chemical energy to electrical energy, the species diffusion is generally linked to the…
Density functional theory (DFT) has been used as an important tool for studying activity of oxygen reduction reaction (ORR) catalysts. The dispersion effects, which are not encountered in many of the previous DFT studies for periodic…
Hydrogen at high temperature and pressure undergoes a phase transition from a liquid molecular phase to a conductive atomic state, or liquid metallic hydrogen, sometimes referred to as the plasma phase transition (PPT). The PPT phase line…
We present a theoretical study of degradation mechanisms for photoinduced oxidation in organic polymers in the condensed phase, using poly(3-hexylthiophene)(P3HT) as an example. Applying density functional theory with a hybrid density…