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 …

The global initiatives on sustainable and green energy resources as well as large methane
reserves have encouraged more research to convert methane to hydrogen. Catalytic …

Currently, methane is transformed into methanol through the two-step syngas process,
which requires high temperatures and centralized production. While the slightly exothermic …

Periodic density functional theory (DFT) calculations were carried out to investigate the
mechanism of methane oxidation with H2O2 over the defined Fe sites in Fe/ZSM-5 zeolite …

Late-transition-metal oxides have emerged as promising materials for enabling direct
catalytic conversions of light alkanes to value-added products due to the ability of certain …

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

Volcano curves have proven to be particularly useful in new catalyst design in the field of
heterogeneous catalysis. On the other hand, the further enhancement of the performance of …

Fundamental knowledge of structure-activity correlations for heterogeneous single-atom
catalysts (SACs) is essential in guiding catalytic design. While linear scaling relations are …

A promising route to produce olefins, the building blocks for plastics and chemicals, is the
nonoxidative dehydrogenation of alkanes on metal oxides, taking advantage of the Lewis …

Reaction paths underlying the catalytic oxidation of methane with H2O2 over an Fe
containing MIL-53 (Al) metal–organic framework were studied by periodic DFT calculations …