Concepedia

Fe catalysts for methane decomposition to produce hydrogen and carbon nano materials

Lu Zhou, Moussab Harb, Youssef Saih, Antonio Aguilar‐Tapia, Samy Ould‐Chikh, Jean-Louis Hazemann, Jun Li, Nini Wei, Daniel Gary, Pascal Del‐Gallo,

Applied Catalysis B: Environmental · 2017 · 311 citations · 78 references

DOI

Concepts

References

78

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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Projector augmented-wave method

Peter E. Blöchl · Physical review. B, Condensed matter · 1994 · 90.8K citations

, , +17

From ultrasoft pseudopotentials to the projector augmented-wave method

Georg Kresse, Daniel P. Joubert · Physical review. B, Condensed matter · 1999 · 83.6K 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

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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