Concepedia

Trends in competing oxygen and chlorine evolution reactions over electrochemically formed single-atom centers of MXenes

Shohreh Faridi, Samad Razzaq, Ling Meng, Francesc Viñes, Francesc Illas, Kai S. Exner

Journal of Materials Chemistry A · 2025 · 13 citations · 63 references

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Abstract

Single-atom catalysts (SACs) have garnered widespread attention in the catalysis community due to their ability to catalyze transformations relevant to energy conversion and storage with high activity and selectivity and maximum atomic efficiency.

References

63

Generalized Gradient Approximation Made Simple

John P. Perdew, Kieron Burke, Matthias Ernzerhof · Physical Review Letters · 1996 · 203.9K citations · Full text

, , +19

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 · 116.1K 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 · 80.7K 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 · 72.1K citations

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A consistent and accurate<i>ab initio</i>parametrization of density functional dispersion correction (DFT-D) for the 94 elements H-Pu

Stefan Grimme, Jens Antony, Stephan Ehrlich et al. · The Journal of Chemical Physics · 2010 · 53.8K citations

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