https://www.selleckchem.com/pr....oducts/n-ethylmaleim
In this work, we study the water-gas shift (WGS) reaction catalyzed by α-MoC(10 supported typical platinum group metal (PGM) single atoms (Rh1, Pd1, and Pt1) and Au1 via density functional theory calculations. The adsorption energies of key reaction intermediates and the kinetic barriers of the proposed rate-determining step in the WGS were systematically investigated. It is found that Rh1, Pd1, and Pt1 can serve as single-atom promoters (SAPs) to improve the WGS performance of surface Mo atoms on α-MoC(10. The enhanced