Search results for "electrocatalyst"

Abatement of Acid Orange 7 in macro and micro reactors. Effect of the electrocatalytic route

2014

Abstract The electrochemical treatment of aqueous solutions contaminated by Acid Orange 7 (AO7) was widely studied with the main objective to evaluate as the electrocatalytic route affects the performances of the degradation process in macro and microfluidic cells. Direct anodic oxidation (EO), electro-Fenton (EF), electro-generation of active chlorine (IOAC) and coupled processes were investigated in macro and microfluidic reactors in order to select more effective conditions for the treatment of such compound. The effect of numerous operative parameters (such as nature of the electrode materials, coupling of processes, flow rate, current density and inter-electrode distance) on the perfor…

First-Principles Modelling of N-Doped Co3O4

2018

The project Nr. AP05131211 “First Principles Investigation on Catalytic Properties of N-doped Co3O4” is supported by the Ministry of Education and Science of the Republic of Kazakhstan within the framework of the grant funding for scientific and (or) scientific and technical research for 2018-2020. The authors thank T. Inerbaev and A. Popov for fruitful discussions and valuable suggestions. Yu.M. thanks M.Putnina for the technical assistance in preparation of the manuscript.

Nanostructured Ni Based Anode and Cathode for Alkaline Water Electrolyzers

2019

Owing to the progressive abandoning of the fossil fuels and the increase of atmospheric CO2 concentration, the use of renewable energies is strongly encouraged. The hydrogen economy provides a very interesting scenario. In fact, hydrogen is a valuable energy carrier and can act as a storage medium as well to balance the discontinuity of the renewable sources. In order to exploit the potential of hydrogen it must be made available in adequate quantities and at an affordable price. Both goals can be potentially achieved through the electrochemical water splitting, which is an environmentally friendly process as well as the electrons and water are the only reagents. However, these devices stil…

Electro- and Photo-driven Reduction of CO 2 by a trans -(Cl)-[Os(diimine)(CO) 2 Cl 2 ] Precursor Catalyst: Influence of the Diimine Substituent and A…

2016

A series of [OsII(NN)(CO)2Cl2] complexes where NN is a 2,2′-bipyridine ligand substituted in the 4,4′ positions by H (C1), CH3 (C2), C(CH3)3 (C3), or C(O)OCH(CH3)2 (C4) has been studied as catalysts for the reduction of CO2. Electrocatalysis shows that the selectivity of the reaction can be switched toward the production of CO or HCOO− with an electron-donating (C2, C3) or -withdrawing (C4) substituent, respectively. The electrocatalytic process is a result of the formation of an Os0-bonded polymer, which was characterized by electrochemistry, UV/Visible and EPR spectroscopies. Photolysis of the complexes under CO2 in DMF+TEOA produces CO as a major product with a remarkably stable turnover…

Computational Screening of Doped Graphene Electrodes for Alkaline CO2 Reduction

2020

The electrocatalytic CO<sub>2</sub> reduction reaction (CO<sub>2</sub>RR) is considered as one of the most promising approaches to synthesizing carbonaceous fuels and chemicals without utilizing fossil resources. However, current technologies are still in the early phase focusing primarily on identifying optimal electrode materials and reaction conditions. Doped graphene-based materials are among the best CO<sub>2</sub>RR electrocatalysts and in the present work we have performed a computational screening study to identify suitable graphene catalysts for CO<sub>2</sub>RR to CO under alkaline conditions. Several types of modified-graphene frame…

Ba0.5Sr0.5Co0.8Fe0.2O3-x electrocatalyst prepared by combustion-based methods: the role of the fuel type

2010

Vanadium‐Doped Zircon and Zirconia Materials Prepared from Gel Precursors as Site‐Selective Electrochemical Sensors

2003

Abstract Polymer film electrodes incorporating vanadium‐doped zircon (V x ZrSiO4, 0.00 < x < 0.10) and vanadium‐doped monoclinic and tetragonal zirconias (V x ZrO2, 0.00 < x < 0.15), prepared by heat treatment of gel precursors, exhibit a significant site‐selective electrocatalytic activity towards the oxidation of amino acids, polyalcohols, and polyhydroxycarboxylic acids in alkaline media. Catalysis of the oxidation of carboxylate and alcohol groups involves a relatively slow chemical reaction between the substrate and vanadium centers, while the oxidation of thiolate in cysteine can be attributed to the oxidation of an adduct formed by vanadium centers and the substrate.

On the Mechanistic Origins of the pH-Dependency in Au-Catalyzed Glycerol Electro-Oxidation: Insight from First Principles Calculations

2021

Electrocatalytic oxidation of glycerol (EOG) is an attractive approach to convert surplus glycerol to value-added products. Experiments have shown that EOG activity and selectivity depend on the electrocatalyst, but also on the electrode potential, the pH, and the electrolyte. For broadly employed gold (Au) electrocatalysts, experiments have demonstrated high EOG activity under alkaline conditions with glyceric acid as a primary product, whereas under acidic and neutral conditions Au is rather inactive producing only small amounts of dihydroxyacetone. In the present computational work, we have performed an extensive mechanistic study to understand the pH- and potential-dependency of Au-cata…

Modelling electrocatalysis of hydroquinone oxidation by nicotinamide adenine dinucleaotide coenzyme encapsulated within SBA-15 and MCM-41 mesoporous …

2006

The electrochemical response of NADH associated to two mesoporous aluminosilicates, MCM-41 and SBA-15, is described upon attachment of such materials into polymer-film electrodes. The studied materials display a significant electrocatalytic activity towards the oxidation of 1,4-dihydrobenzoquinone, H2Q. Two models for describing the electrocatalytic process, based on the general theory of mediated electrocatalysis and the Lovric and Scholz formulation of the voltammetry of microparticles are discussed. Voltammetric and chronoamperometric data indicate that the electrocatalytic process involves the formation of a surface-confined NADH–H2Q adduct in the case of SBA-15, while a surface reactio…

New Insights into the Stoichiometric and Catalytic Reactivity of Unsaturated Pd 3 (dppm) 3 CO n + Clusters ( n = 0, 1) Towards Halocarbons – First Ev…

2005

The title clusters, Pd 3 (dppm) 3 (CO) + and Pd 3 (dppm) 3 (CO) 0 can be electrochemically generated from the 1- and 2-electron reductions, respectively, of the Pd 3 (dppm) 3 (CO) 2 + cluster [dppm = bis(diphenylphosphanyl)methane; Pd 3 2 + ]. Pd 3 + reacts in a stoichiometric ratio with methyl iodide, MeI, and benzyl bromide, BzBr, in THF to provide the corresponding Pd 3 (X) + adducts (X = I, Br respectively) as inorganic products. Other products are Bz 2 and PhMe for BzBr but, for MeI, no organic product was observed (since they are too volatile). In the presence of the same substrates, Pd 3 0 also reacts in a stoichiometric ratio to form the same organics and the Pd 3 -(X) + adducts (X …