Scientists find hidden hydrogen pathway in catalytic CO2 conversion

Researchers at IISc built a computational network of 9,389 reactions for CO2 hydrogenation on a copper catalyst, up from 152 reactions. The expanded model predicted about 40 times more CO2 conversion and correctly identified methanol and carbon monoxide as major products. The study was published in Nature Communications.

• 9,389-reaction network predicted ~40x more CO2 conversion than the 152-reaction model
• Expanded model correctly identified methanol and CO as major products
• Hydrogen can transfer as an intact H2 molecule instead of separate atoms
• Findings published in Nature Communications on September 17, 2026