Homogeneous Diatomic Catalyst for Water Oxidation

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Solution Overview

Problem

Current water electrolysis technologies face high unit energy consumption and poor long-term stability due to high overpotential and slow kinetics in the water oxidation reaction, limiting the large-scale application of hydrogen production from renewable energy sources.

Innovation Solution

A homogeneous diatomic catalyst is developed, comprising a 3d transition-metal oxide, hydroxide, or oxyhydroxide carrier with diatomic active sites, where diatomic species are embedded through calcination, forming a stable coordination structure, which reduces the initial overpotential and enhances stability.

Engineering Contradictions & Design Principles

VSEngineering Contradiction Analysis

1Reliability

If conventional water electrolysis catalysts are used, then the water oxidation reaction can proceed, but the initial overpotential is high (above 250 mV) and the long-term stability is poor

Engineering Contradiction:
Improvelong-term stabilityVSAvoidinitial overpotential
Core Design Contradiction:
ReliabilityVSUse of energy by moving object

Solution Approach 1:

The patent employs composite materials by combining 3d transition-metal carriers (oxide, hydroxide, or oxyhydroxide) with diatomic active sites (such as Ru2, Os2, Ir2 dimers). This composite structure leverages the advantageous properties of both components: the carrier provides structural stability and electrical conductivity, while the diatomic active sites provide high catalytic activity. The synergistic effect between the carrier and diatomic sites resolves the contradiction by achieving both low overpotential (improved energy efficiency) and enhanced stability (improved reliability) simultaneously

Inventive Principle:
Principle #40Composite materials

2Productivity

If monatomic catalysts are used, then atomic utilization reaches 100%, but the overpotential remains high and TOF values are low due to higher energy barrier and complex reaction path

Engineering Contradiction:
ImproveTOF valueVSAvoidoverpotential
Core Design Contradiction:
ProductivityVSUse of energy by moving object

Solution Approach 1:

The patent merges two metal atoms to form diatomic active sites (e.g., Ru2, Os2, Ir2), which fundamentally changes the reaction mechanism. The diatomic structure enables a coupled electron transfer pathway that reduces the energy barrier compared to monatomic catalysts. This merging of atoms creates new electronic states and reaction pathways that simultaneously lower overpotential and increase TOF values, resolving the contradiction between productivity and energy consumption

Inventive Principle:
Principle #5Merging (Combining)

3Object-generated harmful factors

If water electrolysis is performed to produce green hydrogen, then zero carbon emissions are achieved, but the unit energy consumption is high due to high overpotential in the water oxidation reaction

Engineering Contradiction:
Improvecarbon emissionsVSAvoidunit energy consumption
Core Design Contradiction:
Object-generated harmful factorsVSUse of energy by moving object

Solution Approach 1:

The patent applies parameter changes by optimizing the electronic structure and coordination environment of the diatomic active sites. By adjusting parameters such as metal composition, oxidation state, and coordination geometry, the catalyst achieves optimal performance with low overpotential. This parameter optimization directly reduces the energy consumption of water electrolysis while maintaining the green hydrogen production advantage of zero carbon emissions

Inventive Principle:
Principle #35Parameter changes

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 a significantly lower initial overpotential of 170 mV and maintains stability for 650 hours at a current density of 20 mA cm−2, with improved catalytic performance comparable to natural photosystem II, facilitating efficient and cost-effective hydrogen production.

Implementation Method 1

electrocatalytic water oxidation homogeneous diatomic catalyst

Methodology Applied
Scientific EffectElectrocatalysis: Catalysis

Implementation Method 2

diatomic active sites are embedded into the 3d transition-metal material skeleton through calcination treatment

Methodology Applied
Scientific EffectCalcination: Heat Treatment

Data Source

PatentUS20250092539A1Electrocatalytic water oxidation homogeneous diatomic catalyst, and preparation method therefor and use thereof
Publication Date: 2025.03.20 DALIAN INSTITUTE OF CHEMICAL PHYSICS CHINESE ACADEMY OF SCIENCES
  • US20250092539A1 patent drawing
  • US20250092539A1 patent drawing
  • US20250092539A1 patent drawing

AI summary

The present invention relates to the technical fields of electrocatalysis and chemical industry, and specifically relates to an electrocatalytic water oxidation homogeneous diatomic catalyst, and a preparation method therefor and a use thereof. The catalyst comprises a carrier and a homogeneous diatomic active site having an adjacency structure, and the active site is anchored in the carrier; the carrier is at least one of an oxide, a hydroxide and an oxyhydroxide of a 3d transition-metal; a coordination structure is formed between the double atoms and the carrier. The intrinsic activity of a diatomic dispersed catalytic material prepared by the method in an electrocatalytic water oxidation reaction is equivalent to that of the existing natural photosynthetic system II having the highest efficiency, at the same time, the water oxidation initial potential is merely 170 mV, and the stability is kept for 650 h under a current density of 20 A cm−2; and the preparation method is simple and has low cost.