C1 Product Path

Formation pathways of CO, HCOOH, CH₄, and CH₃OH, free energy changes, and stability of key intermediates

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Calculation Purpose

Analyze the reaction pathway of CO₂ reduction to C1 products and determine the thermodynamic advantages of different products

Case Reference

Xia Baoyu, Nature: CO2 to formic acid conversion in acidic PEM stabilizes for 5200 hours; theoretical calculations reveal dynamic Pb–PbCO3 interface mechanism

CO2 electrolysis under PEM conditions must simultaneously achieve high carbon utilization, high selectivity, and long-term stable operation. A Nature paper by Xia Baoyu's team at Huazhong University of Science and Technology demonstrates the direct conversion of CO2 to formic acid in acidic PEM, achieving a formic acid Faradaic efficiency of over 93%, a single-pass conversion rate of approximately 91%, and continuous operation for 5,200 hours at 600 mA cm⁻².

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