Concepedia

The Role of Cation Acidity on the Competition between Hydrogen Evolution and CO<sub>2</sub> Reduction on Gold Electrodes

Mariana C. O. Monteiro, Federico Dattila, Núria López, Marc T. M. Koper

Journal of the American Chemical Society · 2021 · 387 citations · 51 references

DOIFull text

Open access

Concepts

Abstract

stabilization and barrierless protonation to COOH and further reduction products.

References

51

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

Projector augmented-wave method

Peter E. Blöchl · Physical review. B, Condensed matter · 1994 · 90.8K citations

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From ultrasoft pseudopotentials to the projector augmented-wave method

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

, , +17

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

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