The successful synthesis of noble-metal nanocrystals with controlled shapes offers many
opportunities to not only maneuver their physicochemical properties but also optimize their …

Syngas conversion serves as a competitive strategy to produce olefins chemicals from
nonpetroleum resources. However, the goal to achieve desirable olefins selectivity with …

Syngas, a mixture of CO and H 2 (CO/H 2), is a key platform for the utilization of
nonpetroleum carbon resources such as natural gas or shale gas and coal. Syngas can also …

The increasing availability of quantum-chemical data on surface reaction intermediates
invites one to revisit unresolved mechanistic issues in heterogeneous catalysis. One such …

The kinetics of synthesis gas conversion on the stepped Rh (211) surface were investigated
by computational methods. DFT calculations were performed to determine the reaction …

Catalytic conversion of biomass-derived synthesis gas to ethanol and other C2+ oxygenates
has received considerable attention recently due to the strong demands for alternative …

Carbides are important phases in heterogeneous catalysis. However, the understanding of
carbide phases is inadequate: Fe and Co are the two commercial catalysts for Fischer …

The mechanism of CO dissociation is a fundamental issue in the technologically important
Fischer− Tropsch (F− T) process that converts synthesis gas into liquid hydrocarbons. In the …

Synthesis of fuel from syngas via the Fischer–Tropsch (F–T) process is considered to be one
of the important reactions in the field of heterogeneous catalysis. Here, we present a short …

Computational studies have recently generated important information regarding reaction
intermediates and activation barriers of elementary reaction steps that are part of the Fischer …