Improving the Activity of M−N 4 Catalysts for the Oxygen Reduction Reaction by Electrolyte Adsorption
| Autor: | Heine Anton Hansen, Tejs Vegge, Katrine L. Svane, Mateusz Reda |
|---|---|
| Rok vydání: | 2019 |
| Předmět: |
General Chemical Engineering
Inorganic chemistry chemistry.chemical_element 02 engineering and technology Electrolyte 010402 general chemistry 01 natural sciences Catalysis Metal Adsorption Impurity Electrochemistry Environmental Chemistry General Materials Science biology Chemistry Active site Transition metals 021001 nanoscience & nanotechnology 0104 chemical sciences Density functional calculations General Energy Fuell cells visual_art Heterogeneous catalysts visual_art.visual_art_medium biology.protein 0210 nano-technology Platinum Carbon |
| Zdroj: | Svane, K L, Reda, M, Vegge, T & Hansen, H A 2019, ' Improving the Activity of M-N 4 Catalysts for the Oxygen Reduction Reaction by Electrolyte Adsorption ', ChemSusChem, vol. 12, no. 23, pp. 5133-5141 . https://doi.org/10.1002/cssc.201902443 |
| ISSN: | 1864-564X 1864-5631 |
| DOI: | 10.1002/cssc.201902443 |
| Popis: | Metal and nitrogen co-doped carbons (M-N/Cs) have emerged as promising alternatives to platinum-based catalysts for the oxygen reduction reaction (ORR). Here, density functional theory calculations are used to investigate the adsorption of anions and impurities from the electrolyte on the active site, modelled as an M-N4 motif embedded in a planar carbon sheet (M= Cr , Mn, Fe , Co). The two-dimensional catalyst structure implies that each metal atom has two potential active sites, one on each side of the sheet. Adsorption of anions or impurities on both sites results in poisoning, but adsorption on one of the sites leads to a modified ORR activity on the remaining site. The calculated adsorption energies show that a number of species adsorb on one of the two sites only under realistic experimental conditions. A few of these adsorbates furthermore modify the adsorption energies of the ORR intermediates on the remaining site in such a way that the limiting potential is improved. |
| Databáze: | OpenAIRE |
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