Edge-exposed MoS2 nano-assembled structures are designed for high hydrogen evolution reaction activity and long term stability. The number of sulfur edge sites of nano-assembled spheres and sheets is confirmed by Raman spectroscopy and EXAFS analysis. By controlling the MoS2 morphology with the formation of nano-assembled spheres with the assembly of small-size fragments of MoS2, the resulting assembled spheres have high electrocatalytic HER activity and high thermodynamic stability.

The electrochemical synthesis of NH 3 by the nitrogen reduction reaction (NRR) at low temperature (<65 °C) and atmospheric pressure using nanosized γ-Fe 2 O 3 electrocatalysts were demonstrated. The activity and selectivity of the catalyst was investigated both in a 0.1 M KOH electrolyte and when incorporated into an anion-exchange membrane electrode assembly (MEA). In a half-reaction experiment conducted in a KOH electrolyte, the γ-Fe 2 O 3 electrode presented a faradaic efficiency of 1.9% and a weight-normalized activity of 12.5 nmol h −1 mg −1 at 0.0 V RHE . However, the selectivity toward N 2 reduction decreased at more negative potentials owing to the competing proton reduction reaction. When the γ-Fe 2 O 3 nanoparticles were coated onto porous carbon paper to form an electrode for a MEA, their weight-normalized activity for N 2 reduction was found to increase dramatically to 55.9 nmol h −1 mg −1 . However, the weight-and area-normalized N 2 reduction activities of γ-Fe 2 O 3 decreased progressively from 35.9 to 14.8 nmol h −1 mg −1 and from 0.105 to 0.043 nmol h −1 cm −2 act , respectively, during a 25 h MEA durability test. In summary, a study of the fundamental behavior and catalytic activity of γ-Fe 2 O 3 nanoparticles in the electrochemical synthesis of NH 3 under low temperature and pressure is presented.

We present the role of Pd ensembles in the selective direct synthesis of H2O2 from H2 and O2 on a PdAu alloy surface based on periodic density functional theory calculations. Our calculations demonstrate that H2O2 formation is strongly affected by the spatial arrangement of Pd and Au surface atoms. In particular, Pd monomers surrounded by less active Au atoms that suppress O−O bond scission are primarily responsible for the significantly enhanced selectivity toward H2O2 formation on PdAu alloys compared to that on the monometallic Pd and Au counterparts.

Density functional theory studies demonstrate that defective graphene-supported Cu nanoparticles can modify the structural and electronic properties of copper for enhancing electrochemical reduction of carbon dioxide (CO2) into hydrocarbon fuels (CH4, CO, and HCOOH). We not only provide improved understanding of CO2 conversion mechanisms on both Cu and the Cu nanoparticle system, but also explain a key factor for enhanced CO2 conversion. A promising catalytic material for CO2 conversion into hydrocarbon fuels may allow for geometry flexibility upon interaction with a key intermediate of CHO*.