Concepedia

Elucidating the unexpected electrocatalytic activity of nanoscale PdO layers on Pd electrocatalysts towards ethanol oxidation in a basic solution

Atiweena Krittayavathananon, Salatan Duangdangchote, Panvika Pannopard, Narong Chanlek, S. Sathyamoorthi, Jumras Limtrakul, Montree Sawangphruk

Sustainable Energy & Fuels · 2019 · 28 citations · 63 references

DOI

Concepts

Abstract

Pd-based catalysts are typically used in many applications; however, the effect of their oxide layer has not been fully investigated to date.

References

63

Generalized Gradient Approximation Made Simple

John P. Perdew, Kieron Burke, Matthias Ernzerhof · Physical Review Letters · 1996 · 211.5K citations · Full text

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Efficient iterative schemes for<i>ab initio</i>total-energy calculations using a plane-wave basis set

Georg Kresse, J. Furthmüller · Physical review. B, Condensed matter · 1996 · 120.5K citations

, , +15

From ultrasoft pseudopotentials to the projector augmented-wave method

Georg Kresse, Daniel P. Joubert · Physical review. B, Condensed matter · 1999 · 83.6K citations

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Efficiency of ab-initio total energy calculations for metals and semiconductors using a plane-wave basis set

Georg Kresse, J. Furthmüller · Computational Materials Science · 1996 · 74.7K citations

, , +14

Special points for Brillouin-zone integrations

Hendrik J. Monkhorst, J.D. Pack · Physical review. B, Solid state · 1976 · 70.3K citations

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