Anion-induced electronic localization and polarized cobalt clusters for highly efficient water splitting

Area of Science:

• Materials Science
• Electrochemistry
• Catalysis

Background:

• Anions can regulate catalyst electronic structures for improved water splitting.
• Designing efficient catalysts for water splitting remains a key challenge in sustainable energy.

Purpose of the Study:

• To construct and investigate a nitrogen-regulated cobalt cluster catalyst confined in carbon nanotubes (N-Co NCNTs).
• To understand the role of nitrogen anions in optimizing electronic structures and enhancing catalytic activity for water splitting.

Main Methods:

• Synthesis of N-Co NCNTs catalyst.
• Electrochemical testing for oxygen evolution reaction (OER) and hydrogen evolution reaction (HER).
• Density Functional Theory (DFT) computations to analyze electronic structure and catalytic mechanisms.

Main Results:

• N-Co NCNTs demonstrated ultra-low overpotentials for OER (178 mV) and HER (92 mV) at 10 mA cm⁻².
• The catalyst exhibited excellent long-term durability, maintaining stable current density for 160 hours.
• DFT calculations confirmed nitrogen anions' crucial role in electronic structure regulation and catalytic enhancement.

Conclusions:

• Nitrogen anions effectively optimize cobalt cluster electronic structures, leading to enhanced catalytic activity and stability.
• N-Co NCNTs represent a highly efficient and durable catalyst for alkaline water splitting.
• This work offers a new strategy for designing anion-regulated catalysts.