作者
Laura Scarpetta-Pizo, Ricardo Venegas, Karina Muñoz-Becerra, Lisa Muñoz, Alejandro Toro-Labbé, Nadim Darwish, Ricardo Matute, Rubén Oñate, José H Zagal, Ingrid Ponce
发表日期
2023/11/10
期刊
Electrochimica Acta
卷号
468
页码范围
143160
出版商
Pergamon
简介
Using reactivity predictors to enhance or control the electrocatalytic activity of materials is a fascinating concept. This is especially true for the development of alternative platinum metal group-free materials as it facilitates the rational design of active catalytic materials for the oxygen reduction reaction (ORR). In previous work, we have found that the peripheral and non-peripheral electron-withdrawing effects and the electron-pull effect from axial extraplanar ligand in iron-phthalocyanine (FePc) are key factors in improving the binding energy between the active Fe site and O2 resulting in an increase of the electrocatalytic activity of FePcs for the ORR. In this work, we have utilized fundamental principles of electrocatalysis and DFT calculations to design and synthesize FeN4 molecular catalysts to increase their catalytic performance for the ORR through the "pull" effect. To achieve this, by chemical synthesis, we have …
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