Concepedia

The interaction of molecular oxygen on LaO terminated surfaces of La<sub>2</sub>NiO<sub>4</sub>

Taner Akbay, Aleksandar Staykov, John Druce, Helena Téllez, Tatsumi Ishihara, John A. Kilner

Journal of Materials Chemistry A · 2016 · 63 citations · 51 references

DOI

Concepts

Abstract

The surface composition and electronic structure of perovskite related oxides play a significant role in their electro-catalytic behaviour.

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

, , +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

, , +14

<i>Ab initio</i>molecular dynamics for liquid metals

Georg Kresse, J. Häfner · Physical review. B, Condensed matter · 1993 · 44.9K citations

, , +17