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Document type:
Zeitschriftenaufsatz 
Author(s):
Rück, M.; Bandarenka, A.S.; Calle-Vallejo, F.; Gagliardi, A. 
Title:
Oxygen Reduction Reaction: Rapid Prediction of Mass Activity of Nanostructured Platinum Electrocatalysts 
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...    »
 
Journal title:
J. Phys. Chem. Lett., 2018, 9, pp 4463–4468. Surfaces, Interfaces, and Catalysis; Physical Properties of Nanomaterials and Materials2018-07 
Year:
2018 
Year / month:
2018-07 
Quarter:
3. Quartal 
Month:
Jul 
Publisher:
ACS American Chemical Society