Related papers: Estimating Reaction Rate Constants from Impedance …
Experimentally determined thermodynamic parameters are rarely reported for electrocatalytic reactions including the oxygen evolution reaction (OER). Yet, they contain unique and valuable mechanistic insight and present a missing link to…
Photoelectrochemical impedance spectroscopy (PEIS) is a useful tool for the characterization of photoelectrodes for solar water splitting. However, the analysis of PEIS spectra often involves a priori assumptions that might bias the…
Transition metal oxides are state-of-the-art materials for catalysing the oxygen evolution reaction (OER), whose slow kinetics currently limit the efficiency of water electrolysis. However, microscale physicochemical heterogeneity between…
Oxygen evolution reaction (OER) with intractable high overpotential is the rate-limiting step for rechargeable metal-air battery, water electrolysis systems, and solar fuels devices. There exists a spin state transition from spin singlet…
Computing accurate rate constants for catalytic events occurring at the surface of a given material represents a challenging task with multiple potential applications in chemistry. To address this question, we propose an approach based on a…
Efficient electro-catalytic water-splitting technologies require suitable catalysts for the oxygen evolution reaction (OER). The development of novel catalysts could benefit from the achievement of a complete understanding of the reaction…
In this paper, we study a suitable experimental design of electrochemical impedance spectroscopy (EIS) to reduce the number of frequency points while not significantly affecting the uncertainties of the estimated cell's equivalent circuit…
Solid state batteries have emerged as a potential next-generation energy storage device due to safety and energy density advantages. Development of electrolyte is one of the most important topics in solid state batteries. Electrochemical…
This work develops an analytical model to consistently interpret the steady-state and small-perturbation response (both in the time and frequency domain) of photoanodes for solar water-splitting. In addition to accounting for the…
In this study, we address the significant challenge of overcoming limitations in catalytic efficiency for the oxygen evolution reaction (OER). The current linear scaling relationships hinder the optimization of electrocatalytic performance.…
From the point of view of statistical mechanics, a full characterisation of a molecular system requires the experimental determination of its possible states, their populations and the respective interconversion rates. Well-established…
Electrochemical Impedance Spectroscopy (EIS) is a non-invasive technique widely used for understanding charge transfer and charge transport processes in electrochemical systems and devices. Standard approaches for the interpretation of EIS…
The rates or formation and concentration distributions of a dimer reaction showing hysteresis behavior are examined in an ab initio chemical reaction designed as elementary and where the hysteresis structure precludes the formation of…
The oxygen evolution reaction (OER) at the surface of semiconductor photoanodes involves photo-generated holes that oxidize water. A certain fraction of the holes that reach the surface recombine with electrons from the conduction band,…
The impedance of a Li-ion battery contains information about its state of charge (SOC), state of health (SOH) and remaining useful life (RUL). Commonly, electrochemical impedance spectroscopy (EIS) is used as a nonparametric data-driven…
This paper presents an attractive method towards sensing and quantifying the concentration of dielectric particles suspended in a highly conductive medium. Fast electrical impedance spectroscopy (EIS) measurements were performed, based on…
Computing reaction rates in biomolecular systems is a common goal of molecular dynamics simulations. The reactions considered often involve conformational changes in the molecule, either changes in the structure of a protein or the relative…
Electrochemical impedance spectroscopy (EIS) is a widely used experimental technique for characterising materials and electrode reactions by observing their frequency-dependent impedance. Classical EIS measurements require the…
The effect of solvent on the free energy of reaction intermediates adsorbed on electrocatalyst surfaces can significantly change the thermochemical overpotential, but accurate calculations of this are challenging. Here, we present…
Photodisintegration reaction rates involving charged particles are of relevance to the p-process nucleosynthesis that aims at explaining the production of the stable neutron-deficient nuclides heavier than iron. In this study, the cross…