Concepedia

Activation of surface oxygen sites on an iridium-based model catalyst for the oxygen evolution reaction

Alexis Grimaud, Arnaud Demortière, Matthieu Saubanère, Walid Dachraoui, Martial Duchamp, Marie‐Liesse Doublet, Jean‐Marie Tarascon

Nature Energy · 2016 · 631 citations · 52 references

DOI

Concepts

References

52

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

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

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

, , +17

Accurate and simple analytic representation of the electron-gas correlation energy

John P. Perdew, Yue Wang · Physical review. B, Condensed matter · 1992 · 24.9K citations

, , +14

Electron-energy-loss spectra and the structural stability of nickel oxide:  An LSDA+U study

S. L. Dudarev, Gianluigi A. Botton, Sergey Y. Savrasov et al. · Physical review. B, Condensed matter · 1998 · 14.8K citations

, , +17

A Perovskite Oxide Optimized for Oxygen Evolution Catalysis from Molecular Orbital Principles

Jin Suntivich, Kevin J. May, Hubert A. Gasteiger et al. · Science · 2011 · 5.3K citations

, , +17