Molecular Engineering to Tune the Ligand Environment of Atomically Dispersed Nickel for Efficient Alcohol Electrochemical Oxidation

Atomically dispersed metals maximize the number of catalytic sites and enhance their activity. However, challenging synthesis characterization strongly complicates optimization. Here, aim is to demonstrate that tuning electronic environment atomically metal catalysts through modification edge coordination an effective strategy performance. This article focuses on optimizing nickel-based electrocatalysts toward alcohol electrooxidation in alkaline solution. A new organic framework with nickel first developed. The within this modified addition carbonyl (C?O) groups. authors then such frameworks, combined carbon nanotubes, exhibit outstanding activity durability oxidation methanol (CH3OH), ethanol (CH3CH2OH), benzyl (C6H5CH2OH); smaller molecule exhibits higher These electrocatalytic activities for are attributed presence group ligand chemical environment, which enhances adsorption alcohol, as revealed by density functional theory calculations. work not only introduces a Ni-based catalyst, but also demonstrates designing engineering high-performance environment.