SEOUL, May 22 (AJP) - Researchers from Korea Advanced Institute of Science and Technology and Korea University have identified limitations in theoretical models used to design catalysts that convert carbon dioxide into high-value chemicals. The joint research team found that current evaluation methods do not fully explain how complex compounds are formed, the prominent institute based in the central city of Daejeon said Thursday.
The scientists tested the accepted theory that matching the electronic properties of a catalyst to those of copper would allow it to produce multi-carbon compounds such as ethylene and ethanol. Copper is currently the only metal known to efficiently drive this specific carbon conversion process. To test the theory, the team created a three-metal alloy using gold, silver and palladium that mimicked the key electronic indicators of copper.
Despite sharing these electronic traits with copper, the new alloy failed to produce complex multi-carbon compounds and generated only simpler substances like carbon monoxide. This result demonstrates that the electronic properties of a catalyst alone do not determine its performance in complex chemical reactions. The researchers concluded that the physical arrangement of atoms on the surface of the catalyst plays an equally critical role.
Converting captured carbon dioxide into usable fuels and plastic feedstocks using electricity is a central technology for achieving carbon neutrality. While existing metrics are sufficient for predicting simple chemical reactions, this study indicates that finding highly efficient alternatives to copper will require a more comprehensive design approach. The findings were published in the May 2026 issue of Nature Catalysis.
"This research shows that existing catalyst theories alone cannot sufficiently explain complex multi-step carbon conversion reactions," Professor Oh Ji-hoon said. "In the future, a new catalyst design strategy that considers both electron properties and local atomic arrangement is needed."
(Reference Information)
Journal/Source: Nature Catalysis
Title: Peaks and pitfalls of electrocatalytic CO2 reduction descriptor models
Link/DOI: https://bit.ly/3Px7o90
Copyright ⓒ Aju Press All rights reserved.
