http://www.cnr.it/ontology/cnr/individuo/prodotto/ID297514
Dramatic Increase in the Oxygen Reduction Reaction for Platinum Cathodes from Tuning the Solvent Dielectric Constant (Articolo in rivista)
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- Label
- Dramatic Increase in the Oxygen Reduction Reaction for Platinum Cathodes from Tuning the Solvent Dielectric Constant (Articolo in rivista) (literal)
- Anno
- 2014-01-01T00:00:00+01:00 (literal)
- Http://www.cnr.it/ontology/cnr/pubblicazioni.owl#doi
- 10.1002/anie.201403264 (literal)
- Alternative label
Fortunelli, Alessandro; Goddard, William A.; Sha, Yao; Yu, Ted H.; Sementa, Luca; Barcaro, Giovanni; Andreussi, Oliviero (2014)
Dramatic Increase in the Oxygen Reduction Reaction for Platinum Cathodes from Tuning the Solvent Dielectric Constant
in Angewandte Chemie (Int. ed., Print)
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- Http://www.cnr.it/ontology/cnr/pubblicazioni.owl#autori
- Fortunelli, Alessandro; Goddard, William A.; Sha, Yao; Yu, Ted H.; Sementa, Luca; Barcaro, Giovanni; Andreussi, Oliviero (literal)
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- ISI Web of Science (WOS) (literal)
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- Consiglio Nazionale delle Ricerche (CNR); Consiglio Nazionale delle Ricerche (CNR); California Institute of Technology; University of Pisa (literal)
- Titolo
- Dramatic Increase in the Oxygen Reduction Reaction for Platinum Cathodes from Tuning the Solvent Dielectric Constant (literal)
- Abstract
- Hydrogen fuel cells (FC) are considered essential for a sustainable economy based on carbon-free energy sources, but a major impediment are the costs. First-principles quantum mechanics (density functional theory including solvation) is used to predict how the energies and barriers for the mechanistic steps of the oxygen reduction reaction (ORR) over the fcc(111) platinum surface depend on the dielectric constant of the solvent. The ORR kinetics can be strongly accelerated by decreasing the effective medium polarizability from the high value it has in water. Possible ways to realize this experimentally are suggested. The calculated volcano structure for the dependence of rate on solvent polarization is considered to be general, and should be observed in other electrochemical systems. (literal)
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