The first experiments on catalytic hydrogenation of carbon monoxide were carried out at the
beginning of 20th century. In 1902, Sabatier and Senderens synthesized methane from a …

The application of molecular modeling in heterogeneous catalysis research as a
complement to experimental studies has grown rapidly in recent years. This review …

Periodic, self-consistent DFT-GGA (PW91) calculations are used to study the interaction of
hydrogen with different facets of seventeen transition metals—the (100) and (111) facets of …

The structure of cobalt species at different stages of the genesis of monometallic and Pt-
promoted cobalt alumina-supported Fischer–Tropsch catalysts was studied using X-ray …

Periodic, self-consistent, density functional theory (GGA-PW91) calculations are performed
for both surface and subsurface atomic hydrogen on and in Ni (111). At a low coverage (θ …

Nickel has been reviewed as a catalyst and promoter in the Fischer-Tropsch synthesis
(FTS). The main obstacle to its industrial application is the formation of volatile carbonyls …

The heats of adsorption of different C1 and C2 molecules assumed to be present during the
initial steps of the Fischer–Tropsch synthesis and activation energies for elementary steps …

Density functional theory (DFT) calculations and temperature programmed desorption (TPD)
experiments were performed to study the adsorption of hydrogen on the Co (111) and Co …

CHx (x 0–3) hydrogenation plays a key role in many important chemical processes such as
natural resources utilization and waste gas treatment. In particular, it is of paramount …

The incorporation of heteroatoms (ie N, O, S, F) into the microporous carbon framework is
proposed to affect the interactions between adsorbates and adsorbents and improve the …