The unprecedented ability of computations to probe atomic-level details of catalytic systems
holds immense promise for the fundamentals-based bottom-up design of novel …

The design of heterogeneous catalysts relies on understanding the fundamental surface
kinetics that controls catalyst performance, and microkinetic modeling is a tool that can help …

The demonstrations of visible-light-driven chemical transformations on plasmonic metal
nanostructures have led to the emergence of a new field in heterogeneous catalysis known …

The water gas shift reaction (WGSR) is a moderately exothermic reaction between carbon
monoxide and steam to form carbon dioxide and hydrogen. In typical industrial applications …

The “degree of rate control”(DRC) is a mathematical approach for analyzing multistep
reaction mechanisms that has proven very useful in catalysis research. It identifies the “rate …

The synthesis of anode electrocatalyst with high activity and durability for methanol oxidation
reaction has been one of the main focuses of researchers in recent years. Several works are …

A strategy for low-temperature synthesis of hydrotalcite-based nickel phosphide catalysts
(Ni2P-Al2O3) with flower-like porous structures was proposed. The in situ reduction of red …

The aqueous phase reforming (APR) is a catalytic reaction able to produce hydrogen from
oxygenated compounds. The catalytic system plays a pivotal role to permit high conversion …

The water gas shift (WGS) reaction is a standard reaction that is widely used in industrial
hydrogen production and removal of carbon monoxide. The improved catalytic performance …

We present a comprehensive mean-field microkinetic model for the methanol synthesis and
water-gas-shift (WGS) reactions that includes novel reaction intermediates, such as formic …