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Abstract Density functional theory (DFT) was used to calculate the thermodynamic free energy changes of the possible basic reaction steps of the oxygen reduction reaction (ORR) on both sides of… Click to show full abstract
Abstract Density functional theory (DFT) was used to calculate the thermodynamic free energy changes of the possible basic reaction steps of the oxygen reduction reaction (ORR) on both sides of the active center of the S-doped CoN4-G catalyst. It is found that the adsorption energies on CoN4 active site of these catalysts increase in the range: O
Keywords:
system towards;
proton exchange;
role catalysis;
towards orr;
catalysis system;
orr proton
Journal Title: Applied Surface Science
Year Published: 2021
Link to full text (if available)
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Journal Title: Applied Surface Science
Year Published: 2021
Link to full text (if available)
Share on Social Media: Sign Up to like & get
recommendations!