Defect Engineered Ru-CoMOF@MoS Heterointerface Facilitate Water Oxidation Process.

Catalyst design plays a critical role in ensuring sustainable and effective energy conversion. Electrocatalytic materials need to be able to control active sites and introduce defects in both acidic and alkaline electrolytes. Furthermore, producing efficient catalysts with a distinct surface structure advances our comprehension of the mechanism.

Crystal-Phase- and B-Content-Dependent Electrochemical Behavior of Pd─B Nanocrystals toward Oxygen Reduction Reaction.

The manipulation of crystal phases in metal-nonmetal interstitial alloy nanostructures has attracted considerable attention due to the formation of unique electronic structures and surface atomic arrangements, resulting in unprecedented catalytic performances. However, achieving simultaneous control over crystal phase and nonmetal elements in metal-nonmetal interstitial alloy nanostructures has remained a formidable challenge. Here, a novel synthesis approach is presented for Pd─B interstitial alloy nanocrystals (NCs) that allows investigation of the crystal-phase- and B-content-dependent catalytic performance.

Elucidation of Pathways for NO Electroreduction on Pt(111) from First Principles.

The mechanism of nitric oxide electroreduction on Pt(111) is investigated using a combination of first principles calculations and electrokinetic rate theories. Barriers for chemical cleavage of N-O bonds on Pt(111) are found to be inaccessibly high at room temperature, implying that explicit electrochemical steps, along with the aqueous environment, play important roles in the experimentally observed formation of ammonia. Use of explicit water models, and associated determination of potential-dependent barriers based on Bulter-Volmer kinetics, demonstrate that ammonia is produced through a series of water-assisted protonation and bond dissociation steps at modest voltages (<0.