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Titel:

Oxygen Reduction Reaction: Rapid Prediction of Mass Activity of Nanostructured Platinum Electrocatalysts

Dokumenttyp:
Zeitschriftenaufsatz
Autor(en):
Rück, M.; Bandarenka, A.S.; Calle-Vallejo, F.; Gagliardi, A.
Abstract:
Tailored Pt nanoparticle catalysts are promising candidates to accelerate the oxygen reduction reaction (ORR) in fuel cells. However, the search for active nanoparticle catalysts is hindered by laborious effort of experimental synthesis and measurements. On the other hand, DFT-based approaches are still time consuming and often not efficient. In this study, we introduce a computational model which enables rapid catalytic activity calculation of unstrained pure Pt nanoparticle electrocatalysts. R...     »
Zeitschriftentitel:
J. Phys. Chem. Lett., 9, pp 4463–4468. Surfaces, Interfaces, and Catalysis; Physical Properties of Nanomaterials and Materials 2018-07
Jahr:
2018
Jahr / Monat:
2018-07
Quartal:
3. Quartal
Monat:
Jul
Volltext / DOI:
doi:10.1021/acs.jpclett.8b01864
WWW:
https://pubs.acs.org/doi/10.1021/acs.jpclett.8b01864
Verlag / Institution:
ACS American Chemical Society
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