• Chemistry
  • Published 2011

Theoretical study of Electro-catalysts for oxygen evolution

@inproceedings{Man2011TheoreticalSO,
  title={Theoretical study of Electro-catalysts for oxygen evolution},
  author={Isabela Costinela Man},
  year={2011}
}
Trends in electrocatalytic activity of the oxygen evolution reaction (OER) are investigated on the basis of a large database of HO* and HOO* adsorption energies on oxide surfaces. The theoretical overpotential was calculated applying standard density functional theory in combination with the computational standard hydrogen electrode model (SHE). We show that by the discovery of a universal scaling relation between the adsorption energies of HOO* vs. HO* it is possible to analyze the reaction… CONTINUE READING

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