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Themed collection Reaction mechanisms in catalysis

17 items
Accepted Manuscript - Paper

A combined periodic DFT and QM/MM approach to understand the radical mechanism of the catalytic production of methanol from glycerol.

From the themed collection: Reaction mechanisms in catalysis
Open Access Accepted Manuscript - Paper

The interaction of CO with a copper(II) chloride oxy-chlorination catalyst

From the themed collection: Reaction mechanisms in catalysis
Open Access Accepted Manuscript - Paper

Single Catalyst Particle Diagnostics in a Microreactor for Performing Multiphase Hydrogenation Reactions

From the themed collection: Reaction mechanisms in catalysis
Accepted Manuscript - Paper

Hydrogenation of ethylene over palladium: Evolution of the catalyst structure by operando synchrotron-based techniques

From the themed collection: Reaction mechanisms in catalysis
Accepted Manuscript - Paper

Visualization of catalyst dynamics and development of a practical procedure to study complex “cocktail”-type catalytic systems

From the themed collection: Reaction mechanisms in catalysis
Accepted Manuscript - Paper

The Role of H2:N2 Ratio on the NH3 Synthesis Rate and on Process Economics over the Co3Mo3N Catalyst

From the themed collection: Reaction mechanisms in catalysis
Accepted Manuscript - Paper

Mechanistic in situ investigation of heterogeneous hydrogenation over Rh/TiO2 catalysts: selectivity, pairwise route, catalyst nature

From the themed collection: Reaction mechanisms in catalysis
Open Access Accepted Manuscript - Paper

Effect of thermal treatment on the stability of Na-Mn-W/SiO2 Catalyst for the Oxidative Coupling of Methane

From the themed collection: Reaction mechanisms in catalysis
Open Access Accepted Manuscript - Paper

Combination of theoretical and in-situ experimental investigations of the role of lithium dopant in manganese nitride: a two-stage reagent for ammonia synthesis

From the themed collection: Reaction mechanisms in catalysis
Accepted Manuscript - Paper

Insight into the mechanism of the water-gas shift reaction over Au/CeO2 catalysts using combined operando spectroscopies

From the themed collection: Reaction mechanisms in catalysis
Accepted Manuscript - Paper

Addressing the uncertainty of DFT-determined hydrogenation mechanisms over coinage metal surfaces

From the themed collection: Reaction mechanisms in catalysis
Accepted Manuscript - Paper

Structure Reconstruction of Metal/Alloy in Reaction Conditions: A Volcano Curve?

From the themed collection: Reaction mechanisms in catalysis
Open Access Accepted Manuscript - Paper

The role of oxygenated species in the catalytic self-coupling of MeOH on O pre-covered Au(111)

From the themed collection: Reaction mechanisms in catalysis
Accepted Manuscript - Paper

Supported FexNiy catalysts for the co-activation of CO2 and small alkanes

From the themed collection: Reaction mechanisms in catalysis
Accepted Manuscript - Paper

A Multiscale Modelling Approach to Elucidate the Mechanism of the Oxygen Evolution Reaction at the Hematite-Water Interface

From the themed collection: Reaction mechanisms in catalysis
Accepted Manuscript - Paper

Elucidating the role of H2O in promoting the formation of methacrylic acid during the oxidation of methacrolein over heteropolyacid compounds

From the themed collection: Reaction mechanisms in catalysis
Accepted Manuscript - Paper

Hydrogenation of Substituted Nitroaromatics on Non-Noble Metal Catalysts: Mechanistic Insights to Improve Selectivity

From the themed collection: Reaction mechanisms in catalysis
17 items

About this collection

We are delighted to share with you a selection of the papers which will be presented at our Faraday Discussion on Reaction mechanisms in catalysis taking place in London, UK in April 2020. More information about the event may be found here: http://rsc.li/catalysis-fd2020. Additional articles will be added to the collection as they are published. The final versions of all the articles presented and a record of the live discussions will be published after the event.

Heterogeneous catalysis is a core area of contemporary physical chemistry posing major fundamental and conceptual challenges. Catalysis lies at the heart of the chemical industry - an immensely successful and important part of the overall UK economy, and catalysis plays a crucial part in the production of 80% of all manufactured goods. Catalysis is a major theme in chemical sciences and engineering that underlies much of the key research and teaching in these subjects.

The reaction mechanisms of many commercial processes although successfully operated, are still a matter of debate and controversy, e.g. methanol synthesis and Fischer Tropsch catalysts. Hence there is now the opportunity to focus a Faraday Discussion concerning key aspects of reaction mechanism studies and how this can drive rational design of catalysts.

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