Researchers reveal multi-path mechanism in electrochemical CO2 reduction
DICP
The researchers reported multi-path for CO2 reduction to formate, namely the reaction paths through COOH* and HCOO* intermediates. The reaction phase diagram was built based on the "energy global optimization" approach, describing the activity trend for CO2RR to formate. A double-peak activity trend was obtained owing to the consideration of multi-path.
They found that Cu preferred the COOH* path, resulting in the production of hydrocarbons and oxygenates, which exhibit limited selectivity and activity toward a specific product. However, Pb1Cu preferred the HCOO* path. The optimal HCOO* binding energy in Pb1Cu revealed either high activity or selectivity to formate via CO2RR. The agreement between experimental and theoretical activity trend confirms the reliability of multi-path mechanism.
The Cu site on the Pb1Cu step surface, rather than the single-atom Pb site, showed the highest CO2RR activity toward exclusive formate production. The free-energy diagram with the calculated electrochemical barriers also confirms the formate selectivity.
"The 'double-peak' describes a more accurate activity trend for CO2RR, providing a significant insight for catalyst design," said Prof. XIAO.
Original publication
Most read news
Other news from the department science
Get the chemical industry in your inbox
From now on, don't miss a thing: Our newsletter for the chemical industry, analytics, lab technology and process engineering brings you up to date every Tuesday and Thursday. The latest industry news, product highlights and innovations - compact and easy to understand in your inbox. Researched by us so you don't have to.