Developing a class of dual atom materials for multifunctional catalytic reactions.

Dual atom catalysts, bridging single atom and metal/alloy nanoparticle catalysts, offer more opportunities to enhance the kinetics and multifunctional performance of oxygen reduction/evolution and hydrogen evolution reactions. However, the rational design of efficient multifunctional dual atom catalysts remains a blind area and is challenging. In this study, we achieved controllable regulation from Co nanoparticles to CoN single atoms to CoN dual atoms using an atomization and sintering strategy via an N-stripping and thermal-migrating process.

Spin state modulation on dual Fe center by adjacent Ni sites enabling the boosted activities and ultra-long stability in Zn-air batteries.

Breakthrough in developing cost-effective Fe-based catalysts with superior oxygen reduction reaction (ORR) activities and ultra-long-term stability for application in Zn-air batteries (ZABs) remain a priority but still full of challenges. Herein, the neighboring NiN single-metal-atom and FeN dual-metal-atoms on the N-doped hollow carbon sphere (Fe/Ni-NHCS) were deliberately constructed as the efficient and robust ORR catalyst for ZABs. Both theory calculations and magnetic measurements demonstrate that the introduction of NiN provides a significant role on optimizing the electron spin state of FeN sites and reducing the energy barrier for the adsorption and conversion of the oxygen-containing intermediates, enabling the Fe/Ni-NHCS with excellent ORR performance and ultralow byproduct HO yield (0.

Asymmetric CoN P Trifunctional Catalyst with Tailored Electronic Structures Enabling Boosted Activities and Corrosion Resistance in an Uninterrupted Seawater Splitting System.

Employing seawater splitting systems to generate hydrogen can be economically advantageous but still remains challenging, particularly for designing efficient and high Cl -corrosion resistant trifunctional catalysts toward the oxygen reduction reaction (ORR), oxygen evolution reaction (OER), and hydrogen evolution reaction (HER). Herein, single CoNC catalysts with well-defined symmetric CoN sites are selected as atomic platforms for electronic structure tailoring. Density function theory reveals that P-doping into CoNC can lead to the formation of asymmetric CoN P sites with symmetry-breaking electronic structures, enabling the affinity of strong oxygen-containing intermediates, moderate H adsorption, and weak Cl adsorption.