Quantifying Surface Intermediate Concentrations on Working Heterogeneous Catalysts Using Corrected...

Accurate quantification of surface intermediate concentrations on functioning catalysts is essential for shedding light on reaction mechanisms and designing improved catalysts. This is challenging to...

Quantitative Understanding of the Reactivity of Bicarbonate and the Role of Cations in Gas Diffus...

Bicarbonate (HCO3–) is ubiquitous in aqueous CO2 reduction (CO2RR), where it influences the local pH and reaction pathways despite not being the primary reactant. Its poorly understood role complic...

Reactive Chemical Environments Control Charge Carrier Selectivity and Photovoltage at Nanoparticle...

Interfacial charge transfer at electrocatalyst/semiconductor (EC/SC) junctions is central to the performance of photo(electro)catalysts, yet the influence of the reactive environment on these...

Multifunctional membrane–catalyst systems for chemical upgrading of shale gas

Nature Chemical Engineering - This Perspective highlights membrane–catalyst systems as a promising approach for difficult large-scale chemical transformations. The authors emphasize the need...

Use of Large Language Models for Extracting and Analyzing Data from Heterogeneous Catalysis...

Extracting experimentally measured heterogeneous catalysis data from the text of research articles into structured databases would facilitate the rapid screening of catalysts with target properties...

Distinctive Kinetic Signatures of Surface Segregation Processes in Bimetallic Nanoparticle Catalysis

Surface segregation in bimetallic catalysts, driven by reaction conditions, can alter active site distributions and profoundly impact catalytic performance, yet its influence on reaction kinetics is...

Probing Spatial Energy Flow in Plasmonic Catalysts from Charge Excitation to Heating: Nonhomogene...

Plasmonic catalysts use light to drive chemical reactions. One critical question is how light energy moves at nanoscales in these complex systems, leading to chemical transformations. In this...

Consequences of Annealing on Metal–Insulator–Semiconductor Water Splitting Photoelectrocatalysts

Metal–insulator–semiconductor (MIS) systems, combining light-harvesting semiconductors with electrocatalytic metals, are promising photoelectrocatalysts for efficient and stable photoelectrochemical...

Common Misconceptions in the Analysis of Critical Figures of Merit for Functioning Electrocatalys...

High-Performance Iridium–Molybdenum Oxide Electrocatalysts for Water Oxidation in Acid: Bayesian...

Ir oxides are costly and scarce catalysts for oxygen evolution reaction (OER) in acid. There has been extensive interest in developing alternatives that are either Ir-free or require smaller amounts...

Mechanisms of Ethylene Epoxidation over Silver from Machine Learning-Accelerated First-Principles...

We employed machine learning-augmented density functional theory (DFT) thermodynamic calculations to assess the stability of different AgOx structures under catalytic ethylene epoxidation reaction...

Plasma-Induced Selective Propylene Epoxidation Using Water as the Oxygen Source

Propylene oxide (PO) is a critical gateway chemical used in large-scale production of plastics and many other compounds. In addition, PO is also used in many smaller-scale applications that require...