Polyoxometalate-Based Single-Atom Catalyst with Precise Structure and Extremely Exposed Active Site for Efficient H Evolution.

Single-atom catalysts with precise structure and extremely high catalytic efficiency remain a fervent focus in the fields of materials chemistry and catalytic science. Herein, a nickel-substituted polyoxometalate (POM) {NiSbO(HO)[β-Ni(hmta)SbWO]} (NiPOM) with one extremely exposed nickel site [NiO(HO)] was synthesized using the conventional aqueous method. The uniform dispersion of single nickel center with well-defined structure was facilely achieved by anchoring nanosized NiPOM on graphene oxide (GO).

Theoretical Insights of Curvature Effects of FeN-Doped Carbon Nanotubes on ORR Activity.

The advancement of metal-air batteries is critically contingent on the progression of efficient catalysts for the oxygen reduction reaction (ORR). The potential applications of a series of FeN-doped carbon nanotubes (Fe-NCNTs) of varying diameters as ORR catalysts were examined using density functional theory. We explored the stability and electronic properties of Fe-NCNTs by analyzing the energy and examining the density of states.