Interpolation between W Dopant and Co Vacancy in CoOOH for Enhanced Oxygen Evolution Catalysis

Area of Science:

• Electrochemistry
• Materials Science
• Catalysis

Background:

• Optimizing catalyst performance is crucial for electrochemical reactions.
• Integrating defect structures with opposing effects can unlock synergistic benefits.

Purpose of the Study:

• To propose and validate an interpolation principle for activating cobalt oxyhydroxide (CoOOH) catalysts.
• To engineer the electronic structure of CoOOH using tungsten (W) doping and cobalt (Co) vacancies for the oxygen evolution reaction (OER).

Main Methods:

• Density Functional Theory (DFT) calculations to model electronic structure modifications.
• Experimental validation of DFT predictions and catalytic activity measurements.

Main Results:

• DFT predicted synergistic effects between W doping and Co vacancies in tuning Co site electronic states.
• Experimental results confirmed modulated electronic structure and significantly enhanced OER activity.
• Achieved a low overpotential of 298.5 mV to reach a current density of 50 mA cm⁻².

Conclusions:

• The interpolation principle effectively activates CoOOH for OER by optimizing intermediate energetics.
• This work presents a novel strategy for designing efficient electrocatalysts through the interplay of dopants and vacancies.