Scientists Discover a Hidden Hydrogen Pathway That Could Transform CO2 Into Valuable Fuel - SciTechDaily
Surface of a copper catalyst depicting CO2 hydrogenation to methanol. Credit: Shivam ChaturvedicScientists have uncovered an unexpected pathway for hydrogen transfer during catalytic CO2 conversion. A computer model designed to predict how carbon dioxide becomes useful chemicals produced a surprising error: It identified formic acid as the main product instead of methanol. When scientists expanded the model to account for thousands of previously overlooked reactions, its predictions changed dramatically and aligned much more closely with experimental results. Researchers at the Indian Institute of Science (IISc) developed a computational framework that maps 9,389 chemical reactions involved in converting CO2 into fuels and chemicals on a copper catalyst. Compared with a smaller model containing just 152 reactions, the expanded network predicted approximately 40 times more CO2 conversion and correctly identified methanol and carbon monoxide as major products. The research was published in Nature Communications.
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