Active oxygen in selective oxidation catalysis

Panov, G. I.; Дубков, К. А.; Starokon, E. V.

doi:10.1016/j.cattod.2006.05.019

Cited by 243 publications

(157 citation statements)

References 87 publications

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“…The widely known non-photostimulated way to generate stable oxygen radicals on transition For oxygen on the metal centers in the intermediate oxidation state, perhaps the only experimentally identified stable radical is a species obtained by dissociation of N2O on ferrous iron site in the FeZSM-5 zeolite by Panov and coworkers who named it "α-oxygen" (see review 4 Figure S1. Figure S1.…”

Section: Introductionmentioning

confidence: 99%

Hidden radical reactivity of the [FeO]2+ group in the H-abstraction from methane: DFT and CASPT2 supported mechanism by the example of model iron (hydro)oxide species

Kovalskii

Shubin

Chen

et al. 2017

Chemical Physics Letters

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Section: Introductionmentioning

confidence: 99%

Hidden radical reactivity of the [FeO]2+ group in the H-abstraction from methane: DFT and CASPT2 supported mechanism by the example of model iron (hydro)oxide species

Kovalskii

Shubin

Chen

et al. 2017

Chemical Physics Letters

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“…8 Fe-ZSM-5 was shown to be very efficient not only in the N 2 O decomposition but also in the oxidation of alkenes and aromatics using N 2 O as oxidant. 9,10 According to several authors, it has been concluded that the common feature of these two reactions catalyzed by Fe-ZSM-5 is the formation of adsorbed oxygen atoms called "R-oxygen" or "O ads " (eq 1).…”

Section: Introductionmentioning

confidence: 99%

Nitrous Oxide Decomposition on the Binuclear [Fe^II(μ-O)(μ-OH)Fe^II] Center in Fe-ZSM-5 Zeolite

2008

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The reaction mechanism for nitrous oxide (N 2 O) direct decomposition into molecular nitrogen and oxygen was studied on binuclear iron sites in Fe-ZSM-5 zeolite using the density functional theory (DFT + complex for the N 2 O decomposition. The first step of the catalytic reaction corresponds to a spontaneous adsorption of N 2 O over Fe II sites, followed by the surface atomic oxygen loading and the release of molecular nitrogen. The formation of molecular O 2 occurs through the migration of the atomic oxygen from one iron site to another one followed by the recombination of two oxygen atoms and the desorption of molecular oxygen. The computed reactivity over the binuclear iron core complex [Fe+ is consistent with experimental data reported in the literature. Although the dissociation steps of the N 2 O molecules, calculated with respect to adsorbed N 2 O intermediates, are highly energetic, the energy barrier associated with the atomic oxygen migration is the highest one. Up to 700 K, the oxygen migration step has the highest free energy barrier, suggesting that it is the rate-limiting step of the overall kinetics. This result explains the absence of O 2 formation in experimental study of N 2 O decomposition at temperatures below 623 K.

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“…From both desorption and spectroscopic measurements, it was thus concluded that α-O was surface adsorbed oxygen while β-O was lattice oxygen. Building upon these early works, the complexity of these oxygens were further uncovered and their dependence on the chemistry of the perovskites thoroughly discussed [103][104][105][106].…”

Section: Gas Phase Catalytic Reactionmentioning

confidence: 99%

Factors Controlling the Redox Activity of Oxygen in Perovskites: From Theory to Application for Catalytic Reactions

Yang

Grimaud

2017

Catalysts

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Abstract:Triggering the redox reaction of oxygens has become essential for the development of (electro) catalytic properties of transition metal oxides, especially for perovskite materials that have been envisaged for a variety of applications such as the oxygen evolution or reduction reactions (OER and ORR, respectively), CO or hydrocarbons oxidation, NO reduction and others. While the formation of ligand hole for perovskites is well-known for solid state physicists and/or chemists and has been widely studied for the understanding of important electronic properties such as superconductivity, insulator-metal transitions, magnetoresistance, ferroelectrics, redox properties etc., oxygen electrocatalysis in aqueous media at low temperature barely scratches the surface of the concept of oxygen ions oxidation. In this review, we briefly explain the electronic structure of perovskite materials and go through a few important parameters such as the ionization potential, Madelung potential, and charge transfer energy that govern the oxidation of oxygen ions. We then describe the surface reactivity that can be induced by the redox activity of the oxygen network and the formation of highly reactive surface oxygen species before describing their participation in catalytic reactions and providing mechanistic insights and strategies for designing new (electro) catalysts. Finally, we give a brief overview of the different techniques that can be employed to detect the formation of such transient oxygen species.

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Active oxygen in selective oxidation catalysis

Cited by 243 publications

References 87 publications

Hidden radical reactivity of the [FeO]2+ group in the H-abstraction from methane: DFT and CASPT2 supported mechanism by the example of model iron (hydro)oxide species

Hidden radical reactivity of the [FeO]2+ group in the H-abstraction from methane: DFT and CASPT2 supported mechanism by the example of model iron (hydro)oxide species

Nitrous Oxide Decomposition on the Binuclear [Fe^II(μ-O)(μ-OH)Fe^II] Center in Fe-ZSM-5 Zeolite

Factors Controlling the Redox Activity of Oxygen in Perovskites: From Theory to Application for Catalytic Reactions

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Active oxygen in selective oxidation catalysis

Cited by 243 publications

References 87 publications

Hidden radical reactivity of the [FeO]2+ group in the H-abstraction from methane: DFT and CASPT2 supported mechanism by the example of model iron (hydro)oxide species

Hidden radical reactivity of the [FeO]2+ group in the H-abstraction from methane: DFT and CASPT2 supported mechanism by the example of model iron (hydro)oxide species

Nitrous Oxide Decomposition on the Binuclear [FeII(μ-O)(μ-OH)FeII] Center in Fe-ZSM-5 Zeolite

Factors Controlling the Redox Activity of Oxygen in Perovskites: From Theory to Application for Catalytic Reactions

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Nitrous Oxide Decomposition on the Binuclear [Fe^II(μ-O)(μ-OH)Fe^II] Center in Fe-ZSM-5 Zeolite