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Computational high-throughput screening of electrocatalytic materials for hydrogen evolution

Nature Materials · 2006 · Vol. 5(11) · pp. 909–913
Jeff GreeleyThomas F. JaramilloJacob BondeIb ChorkendorffJens K. Nørskov
Electrocatalysts for Energy ConversionMachine Learning in Materials ScienceCatalysis and Hydrodesulfurization StudiesElectrocatalystCatalysisMaterials scienceThroughputAlloyDensity functional theoryElectrochemistryNanotechnologyChemical engineeringComputer science
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References
Trends in the Exchange Current for Hydrogen Evolution
Journal of The Electrochemical Society · 2005 · 5,664 citations
Soft self-consistent pseudopotentials in a generalized eigenvalue formalism
Physical review. B, Condensed matter · 1990 · 22,699 citations
Dipole correction for surface supercell calculations
Physical review. B, Condensed matter · 1999 · 1,973 citations
Origin of the Overpotential for Oxygen Reduction at a Fuel-Cell Cathode
The Journal of Physical Chemistry B · 2004 · 12,307 citations
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