Related Experiment Video
Updated: Jul 12, 2025

Developing Photosensitizer-Cobaloxime Hybrids for Solar-Driven H2 Production in Aqueous Aerobic Conditions
Published on: October 5, 2019
Construction of highly active FeN4@Fe(OH) cluster composite sites for the oxygen reduction reaction and the oxygen
Yulin Zhang1, Xihao Chen2, Siyu Gan3
1School of New Energy Materials and Chemistry, Leshan Normal University, Leshan, Sichuan 614000, China.
Abstract:
Seeking cost-effective and earth-abundant electrocatalysts with excellent activity for the oxygen reduction reaction (ORR) and the oxygen evolution reaction (OER) in zinc-air batteries (ZABs) is critically important. In this work, the ORR and OER performance of the Fe cluster supported on FeN4 composite sites (FeN4@Fe) is investigated based on density functional theory. Based on the charge density difference between the Fe cluster and the FeN4 substrate, the conclusion that the decreased charge density of the chemical bond between the metal and the adsorbate can weaken the adsorption of the adsorbate can be drawn. The results of the d-band center also confirm this. Furthermore, the ORR and OER free energy change profiles show that FeN4@Fe8 exhibits the best ORR and OER activity. This is because the electronic environment regulated by the Fe cluster can improve the adsorption of intermediates, which is conducive to enhancing catalytic activity. Further considering the solution environment, the activity of FeN4@Fe with preadsorbed OH (FeN4@Fe(OH)) was studied. It is found that FeN4@Fe8(OH)6 is still the best catalyst. This work introduces new highly active composite sites for catalyzing the ORR in an acid medium.
Related Concept Videos
Oxidation-Reduction Reactions
Oxidative Cleavage of Alkenes: Ozonolysis
Ozone is a symmetrical bent molecule stabilized by a resonance structure.
Redox Equilibria: Overview
Redox Reactions
Electron Transport Chain: Complex III and IV
Oxidation and Reduction of Organic Molecules
The removal of an electron from a molecule, results in a...

