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This study investigates the flow field induced by a surface dielectric barrier discharge (SDBD) system, known for its efficient pollution remediation of volatile organic compounds (VOCs). We aim to understand the flow dynamics that…

The use of proton exchange membrane (PEM) electrolyzers is the method of choice for the conversion of solar energy when frequently occurring changes of the current load are an issue. However, this technique requires electrolytes with low…

The effects of static electric field on the dynamics of lysozyme and its hydration water have been investigated by means of incoherent quasi-elastic neutron scattering (QENS). Measurements were performed on lysozyme samples, hydrated…

Soft Condensed Matter · Physics 2013-12-09 P. M. Favi , Q. Zhang , H. O'Neill , E. Mamontov , S. O. Diallo

A study by infrared spectroscopy of the physisorbed region of catalysis demonstrated that the intermediates of catalysis exist on the surface as a two dimensional gas. Data in the Atomic Energy Level tables show that of the thousands of…

Chemical Physics · Physics 2008-01-10 Ralph A. Gardner-Chavis , John T. Reye , Theodore B. Selover , Huixiong Zhang

Catalysis at solid-liquid interfaces plays a central role in the advancement of energy storage and sustainable chemical production technologies. By enabling accurate, long-time scale simulations, machine learning (ML) models have the…

Electrochemical reduction is a promising way to make use of CO$_2$ as feedstock for generating renewable fuel and valuable chemicals. Several metals can be used in the electrocatalyst to generate CO and formic acid but hydrogen formation is…

Until now, the fabrication of electrocatalysts to guarantee long life of fuel cells and low consumption of noble metals remains a major challenge. The electrocatalysts based on metals or metal oxides which are used today are limited by the…

Forced convection cooling is important in numerous technologies ranging from microprocessors in data centers to turbines and engines; active cooling is essential in these situations. However, active transfer of heat or thermal energy under…

Chemical Physics · Physics 2020-01-08 Yutaka Ikeda , Kazuki Fukui , Yoichi Murakami

Alumina and aluminum oxyhydroxides underpin chemical-engineering technologies from heterogeneous catalysis, corrosion protection, functional coatings, energy-storage devices, to biomedical components. Yet molecular models that predictively…

Electrolyte filling is a time-critical step during battery manufacturing that also affects the battery performance. The underlying physical phenomena during filling mainly occur on the pore scale and are hard to study experimentally. In…

Harnessing natural evaporation offers a sustainable and untapped pathway for next-generation energy technologies. Here, we present a unified physical and experimental framework for evaporation-driven hydrovoltaic (EDHV) systems that…

Chemical Physics · Physics 2025-11-18 Tarique Anwar , Giulia Tagliabue

Electrochemical interfaces are crucial in catalysis, energy storage, and corrosion, where their stability and reactivity depend on complex interactions between the electrode, adsorbates, and electrolyte. Predicting stable surface structures…

The development of advanced electrochemical devices for energy conversion and storage requires fine tuning of electrode reactions, which can be accomplished by altering the electrode/solution interface structure. Particularly, in case of an…

Soft Condensed Matter · Physics 2020-07-02 Yu. A. Budkov , A. V. Sergeev , S. V. Zavarzin , A. L. Kolesnikov

The transition towards carbon-neutral chemical production is challenging due to the fundamental reliance of the chemical sector on petrochemical feedstocks. Electrolysis-based manufacturing, powered by renewables, is a rapidly evolving…

Chemical Physics · Physics 2022-06-08 Magda H. Barecka , Joel W. Ager

Vanadium dioxide, an archetypal correlated-electron material, undergoes an insulator-metal transition near room temperature that exhibits electron-correlation-driven and structurally-driven physics. Using ultrafast optical spectroscopy and…

We present a mechanistic theory for predicting void evolution in the Li metal electrode during the charge and discharge of all-solid-state battery cells. A phase field formulation is developed to model vacancy annihilation and nucleation,…

Materials Science · Physics 2022-08-31 Y. Zhao , R. Wang , E. Martínez-Pañeda

The hydrogen oxidation reaction (HOR) and hydrogen evolution reaction (HER) play an important role in hydrogen based energy conversion. Recently, the frustrating performance in alkaline media raised debates on the relevant mechanism,…

Materials Science · Physics 2022-07-05 Ling Liu , Yuyang Liu , Chungen Liu

Efficient discovery of electrocatalysts for electrochemical energy conversion reactions is of utmost importance to combat climate change. With the example of the oxygen reduction reaction we show that by utilising a data-driven discovery…

A stochastic model for the dynamics of enzymatic catalysis in explicit, effective solvents under physiological conditions is presented. Analytically-computed first passage time densities of a diffusing particle in a spherical shell with…

Biomolecules · Quantitative Biology 2015-06-04 Jeremy Schofield , Paul Inder , Raymond Kapral

Looking back at seven decades of highly extensive application in the semiconductor industry, silicon and its native oxide SiO$_2$ are still at the heart of several technological developments. Recently, the fabrication of ultra-thin oxide…