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Lifting the discrepancy between experimental results and the theoretical predictions for the catalytic activity of RuO2(110) towards oxygen evolution reaction
- Source :
- Divanis, S, Frandsen, A M, Kutlusoy, T & Rossmeisl, J 2021, ' Lifting the discrepancy between experimental results and the theoretical predictions for the catalytic activity of RuO 2 (110) towards oxygen evolution reaction ', Physical Chemistry Chemical Physics, vol. 23, no. 35, pp. 19141-19145 . https://doi.org/10.1039/D1CP02999A
- Publication Year :
- 2021
-
Abstract
- Developing new efficient catalyst materials for the oxygen evolution reaction (OER) is essential for widespread proton exchange membrane water electrolyzer use. Both RuO2(110) and IrO2(110) have been shown to be highly active OER catalysts, however DFT predictions have been unable to explain the high activity of RuO2. We propose that this discrepancy is due to RuO2 utilizing a different reaction pathway, as compared to the conventional IrO2 pathway. This hypothesis is supported by comparisons between experimental data, DFT data and the proposed reaction model.
- Subjects :
- Electrolysis
Chemistry
Oxygen evolution
General Physics and Astronomy
Proton exchange membrane fuel cell
02 engineering and technology
010402 general chemistry
021001 nanoscience & nanotechnology
01 natural sciences
0104 chemical sciences
Catalysis
law.invention
Computational chemistry
law
Reaction model
High activity
Physical and Theoretical Chemistry
0210 nano-technology
Efficient catalyst
Subjects
Details
- Language :
- English
- Database :
- OpenAIRE
- Journal :
- Divanis, S, Frandsen, A M, Kutlusoy, T & Rossmeisl, J 2021, ' Lifting the discrepancy between experimental results and the theoretical predictions for the catalytic activity of RuO 2 (110) towards oxygen evolution reaction ', Physical Chemistry Chemical Physics, vol. 23, no. 35, pp. 19141-19145 . https://doi.org/10.1039/D1CP02999A
- Accession number :
- edsair.doi.dedup.....fe53f94a70ac025c77d5eb03bc2921ed