Ni-Fe Diatomic Catalyst Sites for Low-Overpotential CO2-to-CO Conversion

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Solution Overview

Problem

Existing electrochemical carbon dioxide reduction processes face challenges with low reaction rates, low selectivity, and high overpotential, particularly in the conversion of carbon dioxide to carbon monoxide, due to the limitations of single atom catalysts and the need for expensive noble metals.

Innovation Solution

A diatomic metal catalyst comprising nickel (Ni) and iron (Fe) single atoms bonded to nitrogen in a nitrogen-doped carbon nanostructure, where Ni is bonded to four nitrogen atoms and Fe to five, forming Ni-N4 and Fe-N5 sites, respectively, and indirectly linked via nitrogen, enhancing catalytic activity and selectivity for carbon monoxide production.

Engineering Contradictions & Design Principles

VSEngineering Contradiction Analysis

1Reliability

If single atom catalysts are used to replace expensive noble metals, then cost is reduced, but catalytic activity and stability deteriorate due to atom aggregation

Engineering Contradiction:
Improvecatalyst stabilityVSAvoidsynthesis complexity
Core Design Contradiction:
ReliabilityVSEase of manufacture

Solution Approach 1:

Nitrogen atoms serve as intermediary anchors between metal atoms and the carbon support, forming M-Nx coordination structures that stabilize single atoms and prevent aggregation. The nitrogen-doped carbon matrix acts as a mediator that disperses and stabilizes metal atoms throughout the catalyst structure.

Inventive Principle:
Principle #24Intermediary (Mediator)

Solution Approach 2:

The catalyst employs a composite structure combining transition metals with nitrogen-doped carbon materials, creating a synergistic system where the carbon-nitrogen framework supports and stabilizes the metal single atoms, enhancing both stability and catalytic performance.

Inventive Principle:
Principle #40Composite materials

2Productivity

If noble metal catalysts are used to achieve high catalytic activity, then carbon monoxide selectivity improves, but cost increases due to expensive precious metals

Engineering Contradiction:
Improvecarbon monoxide selectivityVSAvoidcost-effectiveness
Core Design Contradiction:
ProductivityVSReliability

Solution Approach 1:

The catalyst replaces expensive, scarce noble metals with abundant, inexpensive transition metals (Fe, Ni, Co, Mn, Zn) that can be sourced from common materials, dramatically reducing cost while maintaining acceptable catalytic performance for carbon monoxide production.

Inventive Principle:
Principle #27Cheap short-living objects (Disposable)

Solution Approach 2:

The catalyst optimizes the coordination environment by controlling the number of nitrogen atoms bonded to metal atoms (Nx coordination), adjusting metal loading amounts, and modifying carbon support properties to enhance the catalytic activity of base metals to levels comparable with noble metals.

Inventive Principle:
Principle #35Parameter changes

3Productivity

If conventional electrochemical reduction processes are used to convert carbon dioxide, then system simplicity is maintained, but reaction rate and selectivity deteriorate

Engineering Contradiction:
Improvereaction rateVSAvoidcatalyst structure complexity
Core Design Contradiction:
ProductivityVSDevice complexity

Solution Approach 1:

The catalyst creates locally optimized active sites with specific M-Nx coordination geometries within the broader carbon matrix, where each metal center has a tailored electronic and geometric environment optimized for carbon dioxide activation and carbon monoxide production, while maintaining overall system simplicity.

Inventive Principle:
Principle #3Local quality

Applied Scientific Principles

This section explains which scientific principles are used to turn an abstract innovation direction into a practical engineering solution.

Function Achieved in This Case

The catalyst achieves high carbon monoxide selectivity and current density at low overpotential, improving the efficiency and cost-effectiveness of carbon dioxide conversion systems.

Implementation Method 1

the carbon dioxide reduction reaction (CO2 RR) of reacting thermodynamically stable carbon dioxide with water is environmentally friendly

Methodology Applied
Scientific EffectElectrochemical reduction: Electrolysis

Implementation Method 2

an electrochemical catalyst for carbon dioxide reduction reaction having higher catalytic activity and efficiency is required

Methodology Applied
Scientific EffectCatalysis: Catalysis

Data Source

PatentEP4495292B1Electrochemical hybrid catalyst containing nickel-iron diatomic metals and carbon dioxide conversion system using the same
Publication Date: 2025.12.03 SK INNOVATION CO LTD
  • EP4495292B1 patent drawingFigure 1
  • EP4495292B1 patent drawingFigure 2A
  • EP4495292B1 patent drawingFigure 2B

AI summary

The invention relates to an electrochemical hybrid catalyst that has a configuration in which two species of single atomic metals, that is, nickel (Ni) and iron (Fe), each bonded to (coordinated with) nitrogen in a nitrogen-doped carbon nanostructure, are adjacent to each other and are indirectly linked via nitrogen to form a catalyst site or an active site. The catalyst exhibits high carbon monoxide selectivity and current density at a low overpotential during reduction reaction for converting carbon dioxide into carbon monoxide. The invention further relates to a carbon dioxide conversion system using said catalyst.