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Defect-phase engineered NiTi-TiO₂ enabling near-unity selective photocatalytic CO₂-to-methanol conversion.

Ruonan Wang^1,2, Mingjia Zhang², Jingjing Liu²

¹Jiangsu Co-Innovation Center of Efficient Processing and Utilization of Forest Resources, College of Chemical Engineering, Nanjing Forestry University, Nanjing, 210037, PR China.

Nature Communications

|August 22, 2025

Summary

Researchers developed a novel nickel-titanium catalyst for artificial photosynthesis, achieving high methanol yields and selectivity. This breakthrough offers a cost-effective pathway for renewable fuel synthesis.

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Area of Science:

Catalysis
Renewable Energy
Materials Science

Background:

Artificial photosynthesis for methanol production faces thermodynamic challenges and requires precise control of reaction intermediates.
Proton-coupled electron transfer (PCET) is crucial for efficient artificial photosynthesis, necessitating tailored catalyst design.

Purpose of the Study:

To design and synthesize a novel catalyst for efficient methanol production via artificial photosynthesis.
To investigate the reaction mechanisms and optimize intermediate evolution for enhanced methanol yields.

Main Methods:

Synthesis of a nickel-titanium-based catalyst via one-step etching of NiTi-layered double hydroxide.
In-situ characterizations to analyze catalyst structure and reaction intermediates.
Theoretical simulations to confirm reaction pathways and intermediate promotion.

Main Results:

Achieved near-millimolar hourly methanol yields with 99.79% selectivity.
Demonstrated a solar-to-chemical conversion efficiency of 2.23%.
Identified defect-rich sites that suppress carbonate formation and promote the *COOH intermediate, facilitating PCET.

Conclusions:

The developed nickel-titanium catalyst significantly advances efficient methanol production through artificial photosynthesis.
The study provides fundamental insights into controlling reaction pathways for renewable fuel synthesis.
This work paves the way for cost-effective and scalable artificial photosynthesis technologies.