Concepedia

Competitive adsorption of oxygen-containing intermediates on ruthenium–tin solid-solution oxides for alkaline oxygen evolution

Shuyu Jia, Jiachen Zhang, Qicheng Liu, Caini Ma, Yawen Tang, Hanjun Sun

Journal of Materials Chemistry A · 2023 · 22 citations · 31 references

DOI

Concepts

Abstract

A ruthenium–tin solid-solution oxide is constructed to regulate the strong adsorption of *O intermediates on Ru sites through competitive adsorption between Sn atoms and Ru atoms.

References

31

Generalized Gradient Approximation Made Simple

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

, , +16

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

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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

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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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Semiempirical GGA‐type density functional constructed with a long‐range dispersion correction

Stefan Grimme · Journal of Computational Chemistry · 2006 · 30.8K citations

, , +17