Concepedia

Evidence for anionic redox activity in a tridimensional-ordered Li-rich positive electrode β-Li2IrO3

Paul E. Pearce, Arnaud J. Perez, Gwenaëlle Rousse, Matthieu Saubanère, Dmitry Batuk, Dominique Foix, Eric McCalla, Artem M. Abakumov, Gustaaf Van Tendeloo, Marie‐Liesse Doublet,

Nature Materials · 2017 · 341 citations · 27 references

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References

27

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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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

Revised effective ionic radii and systematic studies of interatomic distances in halides and chalcogenides

R. D. Shannon · Acta Crystallographica Section A · 1976 · 64.8K citations

, , +17

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 · 56.9K 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