Abstract Single‐atom‐alloys (SAAs), as an emerging kind of materials, combine the
advantages of alloy and single‐atom catalysts. The full atomic utilization of active sites and …

Alkanes are the major constituents of natural gas and crude oil, the feedstocks for the
chemical industry. The efficient and selective activation of C–H bonds can convert abundant …

Solvent molecules interact with reactive species and alter the rates and selectivities of
catalytic reactions by orders of magnitude. Specifically, solvent molecules can modify the …

In this contribution, we combine density functional theory (DFT) calculations, experimental
kinetic study and DFT-assisted analysis to elucidate the impact of the interface of monolayer …

Water adsorbed at the metal–support interface (MSI) plays an important role in multiple
reactions. Due to its importance in CO preferential oxidation (PrOx), we examined H2 …

Despite its huge potential, the utilization of methane as a main feedstock for the synthesis of
fuels and value-added chemicals is limited. Earth abundant transition metal oxides (TMOs) …

Heterogeneous catalysts are the key components in industrial chemical transformations.
Metal oxides are particularly appealing as catalysts owing to their inherent Lewis acid–base …

Methanol may play a major role in a hydrogen economy by serving as one of the highest
energy density compounds available; however, the precise reaction pathways for methanol …

While natural gas is an abundant chemical fuel, its low volumetric energy density has
prompted a search for catalysts able to transform methane into more useful chemicals. This …

Methane strongly adsorbs on the (110) surface of IrO2, a rutile-type metal dioxide. Its C–H
bond is facilely dissociated even below room temperature, as predicted in a few theoretical …