FeN4 Environments upon Reduction: A Computational Analysis of Spin States, Spectroscopic Properties, and Active Species
Author:
Affiliation:
1. Theoretische Chemie, Technische Universität Darmstadt, Peter-Grünberg-Str. 4, 64287 Darmstadt, Germany
2. Anorganische Chemie, Technische Universität Darmstadt, Otto-Berndt-Str. 3, 64287 Darmstadt, Germany
Funder
Deutsche Forschungsgemeinschaft
Publisher
American Chemical Society (ACS)
Link
https://pubs.acs.org/doi/pdf/10.1021/jacsau.3c00714
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1. Application of Non‐Precious Bifunctional Catalysts for Metal‐Air Batteries
2. Oxygen Reduction in PEM Fuel Cell Conditions: Heat-Treated Non-Precious Metal-N4 Macrocycles and Beyond
3. High-performance fuel cell cathodes exclusively containing atomically dispersed iron active sites
4. Direct atomic-level insight into the active sites of a high-performance PGM-free ORR catalyst
5. Review on the Degradation Mechanisms of Metal-N-C Catalysts for the Oxygen Reduction Reaction in Acid Electrolyte: Current Understanding and Mitigation Approaches
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1. Key Role of Density Functional Approximation in Predicting M–N–C Catalyst Activities for Oxygen Reduction;The Journal of Physical Chemistry C;2024-09-13
2. Magnetic Order Transition of a Two-Dimensional Square-Lattice Electrocatalyst Assembled by Fe–N4 Units: Crucial Role on Oxygen Reduction;The Journal of Physical Chemistry Letters;2024-05-28
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