A combined periodic DFT and QM/MM approach to understand the radical mechanism of the catalytic production of methanol from glycerol.
The interaction of CO with a copper(II) chloride oxy-chlorination catalyst
Single Catalyst Particle Diagnostics in a Microreactor for Performing Multiphase Hydrogenation Reactions
Hydrogenation of ethylene over palladium: Evolution of the catalyst structure by operando synchrotron-based techniques
Visualization of catalyst dynamics and development of a practical procedure to study complex “cocktail”-type catalytic systems
The Role of H2:N2 Ratio on the NH3 Synthesis Rate and on Process Economics over the Co3Mo3N Catalyst
Mechanistic in situ investigation of heterogeneous hydrogenation over Rh/TiO2 catalysts: selectivity, pairwise route, catalyst nature
Effect of thermal treatment on the stability of Na-Mn-W/SiO2 Catalyst for the Oxidative Coupling of Methane
Combination of theoretical and in-situ experimental investigations of the role of lithium dopant in manganese nitride: a two-stage reagent for ammonia synthesis
Insight into the mechanism of the water-gas shift reaction over Au/CeO2 catalysts using combined operando spectroscopies
Addressing the uncertainty of DFT-determined hydrogenation mechanisms over coinage metal surfaces
Structure Reconstruction of Metal/Alloy in Reaction Conditions: A Volcano Curve?
The role of oxygenated species in the catalytic self-coupling of MeOH on O pre-covered Au(111)
Supported FexNiy catalysts for the co-activation of CO2 and small alkanes
A Multiscale Modelling Approach to Elucidate the Mechanism of the Oxygen Evolution Reaction at the Hematite-Water Interface
Elucidating the role of H2O in promoting the formation of methacrylic acid during the oxidation of methacrolein over heteropolyacid compounds
Hydrogenation of Substituted Nitroaromatics on Non-Noble Metal Catalysts: Mechanistic Insights to Improve Selectivity
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.