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Electrochemical energy and substance conversion devices involve complex electrode processes, characterized by multiple charge transfer steps, competing pathways, and various intermediates. Such complexity makes it challenging to enhance…

Hydrogen peroxide (H2O2) formation rates in a proton exchange membrane (PEM) fuel cell anode and cathode were estimated as a function of humidity and temperature by studying the oxygen reduction reaction (ORR) on a rotating ring disc…

The effect of elastic strain on catalytic activity of platinum (Pt) towards oxygen reduction reaction (ORR) is investigated through de-alloyed Pt-Cu thin films; stress evolution in the de-alloyed layer and the mass of the Cu removed are…

The electrochemical corrosion rate of Magnesium (Mg) and Mg alloys depends on the stability of the formed surface layer. Based on the Mg substrate, the oxide structure comprises a dense MgO/Mg(OH)2 mixture underneath a porous plate-like…

Accelerating the oxygen reduction reaction (ORR) is a main subject of electrocatalysis research.A critical step of ORR is the formation of the hydroperoxyl functional group (OOH*) intermediate. In this study, we investigate the influence of…

In this work we outline the mechanisms contributing to the oxygen reduction reaction in nanostructured cathodes of La0.8Sr0.2MnO3 (LSM) for Solid Oxide Fuel Cells (SOFC). These cathodes, developed from LSM nanostructured tubes, can be used…

In this paper for the first time we report the results of molecular dynamics simulation of electrode/electrolyte interface of Li-O2 cathode under potential close to experimental values in 1M dimethyl sulfoxide (DMSO) solution of LiPF6 salt.…

化学物理 · 物理学 2017-01-10 Artem Sergeev , Alexander Chertovich , Daniil Itkis , Anik Sen , Axel Gross , Alexei Khokhlov

The understanding of oxygen reduction reaction (ORR) activity on perovskite oxide surfaces is essential for promising future fuel cell applications. We report a comparative study of ORR mechanisms on La$B$O$_3$ ($B$=Mn, Fe, Cr) surfaces by…

化学物理 · 物理学 2013-02-25 Yan Wang , Hai-Ping Cheng

We report here results of our density functional theory based computational studies of the electronic structure of the Pd-Co alloy electrocatalysts and energetics of the oxygen reduction reaction (ORR) on their surfaces. The calculations…

材料科学 · 物理学 2015-05-28 Sebastian Zuluaga , Sergey Stolbov

I present here the results of the first principles studies of the adsorption energetics of the intermediates of the oxygen electro-reduction reaction (ORR) on the Se modified Ru(0001) surface. The calculations were performed for the 1/3 ML…

化学物理 · 物理学 2012-04-01 Sergey Stolbov

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…

化学物理 · 物理学 2014-12-05 Y. Fu , S. Poizeau , A. Bertei , C. Qi , A. Mohanram , J. D. Pietras , M. Z. Bazant

Electrolyte decomposition reactions on Li-ion battery electrodes contribute to the formation of solid electrolyte interphase (SEI) layers. These SEI layers are one of the known causes for the loss in battery voltage and capacity over…

Composite cathode coatings made of a high energy density layered oxide (Li1.2Ni0.15Mn0.55Co0.1O2, theoretical capacity ~377 mAh/g), polyvinylidene fluoride (PVdF) binder, and electron-conduction additives, were bonded to an elastic…

Al$_{x}$Cr$_{1-x}$ composite cathodes with Al contents of x = 0.75, 0.5 and 0.25 were exposed to cathodic arc plasmas in Ar, N$_2$ and O$_2$ atmospheres and their erosion behaviour was studied. Cross-sectional analysis of the elemental…

等离子体物理 · 物理学 2016-02-09 Robert Franz , Francisca Mendez Martin , Gerhard Hawranek , Peter Polcik

The development of high-activity and low-price cathodic catalysts to facilitate the electrochemical sluggish O$_2$ reduction reaction (ORR) is very important to achieve the commercial application of fuel cells. Here, we have investigated…

材料科学 · 物理学 2023-07-14 Ashok Singh , Srimanta Pakhira

We present a density functional theory study of the oxygen reduction reaction (ORR) on a single atom catalyst embedded in graphene, namely, TM-N$_{4}$-C (TM = Fe and Co), using the effective screening medium method combined with the…

材料科学 · 物理学 2024-02-28 Azim Fitri Zainul Abidin , Ikutaro Hamada

A comprehensive understanding of the electrode-electrolyte interface in energy conversion systems remains challenging due to the complex and multifaceted nature of interfacial processes. This complexity hinders the development of more…

Nickel-based layered oxides offer an attractive platform for the development of energy-dense cobalt-free cathodes for lithium-ion batteries but suffer from degradation via oxygen gas release during electrochemical cycling. While such…

材料科学 · 物理学 2022-04-29 Xinhao Li , Qian Wang , Haoyue Guo , Nongnuch Artrith , Alexander Urban

Boron-doped graphene was reported to be the best non-metal doped graphene electrocatalyst for the oxygen reduction reaction (ORR) working at an onset potential of 0.035 V [JACS 136 (2014) 4394]. In the present DFT study, intermediates and…

材料科学 · 物理学 2016-07-28 Gianluca Fazio , Lara Ferrighi , Cristiana Di Valentin

Reducible oxides are widely used catalyst supports that can increase oxidation reaction rates by transferring their lattice oxygen at the metal-support interface. The interfacial oxidation process is typically described in terms of a…

材料科学 · 物理学 2021-04-05 Joshua L. Vincent , Peter A. Crozier
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