Improved oxygen reduction reaction activities with amino acid R group functionalized PEG at platinum surfaces

2013 ◽  
Vol 1 (35) ◽  
pp. 10267 ◽  
Author(s):  
Lauren M. Forbes ◽  
Sirilak Sattayasamitsathit ◽  
Phyllis F. Xu ◽  
Aoife O'Mahony ◽  
Izabela A. Samek ◽  
...  
Keyword(s):  
Amino Acid ◽  
Oxygen Reduction Reaction ◽  
Oxygen Reduction ◽  
Reduction Reaction ◽  
Platinum Surfaces

scholarly journals Direct correlation of oxygen adsorption on platinum-electrolyte interfaces with the activity in the oxygen reduction reaction

2021 ◽  
Vol 7 (24) ◽  
pp. eabb1435
Author(s):  
Shiyi Wang ◽  
Enbo Zhu ◽  
Yu Huang ◽  
Hendrik Heinz
Keyword(s):  
Oxygen Reduction Reaction ◽  
Oxygen Reduction ◽  
Density Functional ◽  
Local Density ◽  
Oxygen Adsorption ◽  
Reduction Reaction ◽  
Functional Theory ◽  
Platinum Surfaces ◽  
Local Density Functional Theory ◽  
Orr Activity

The oxygen reduction reaction (ORR) on platinum catalysts is essential in fuel cells. Quantitative predictions of the relative ORR activity in experiments, in the range of 1 to 50 times, have remained challenging because of incomplete mechanistic understanding and lack of computational tools to account for the associated small differences in activation energies (<2.3 kilocalories per mole). Using highly accurate molecular dynamics (MD) simulation with the Interface force field (0.1 kilocalories per mole), we elucidated the mechanism of adsorption of molecular oxygen on regular and irregular platinum surfaces and nanostructures, followed by local density functional theory (DFT) calculations. The relative ORR activity is determined by oxygen access to platinum surfaces, which greatly depends on specific water adlayers, while electron transfer occurs at a similar slow rate. The MD methods facilitate quantitative predictions of relative ORR activities of any platinum nanostructures, are applicable to other catalysts, and enable effective MD/DFT approaches.

Enhanced electrocatalysis of the oxygen reduction reaction based on patterning of platinum surfaces with cyanide

2010 ◽  
Vol 2 (10) ◽  
pp. 880-885 ◽  
Author(s):  
Dusan Strmcnik ◽  
María Escudero-Escribano ◽  
Kensaku Kodama ◽  
Vojislav R. Stamenkovic ◽  
Angel Cuesta ◽  
...  
Keyword(s):  
Oxygen Reduction Reaction ◽  
Oxygen Reduction ◽  
Reduction Reaction ◽  
Platinum Surfaces
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