Concepedia

Mechanism for Al2O3 Atomic Layer Deposition on LiMn2O4 from In Situ Measurements and Ab Initio Calculations

Lin Chen, Robert E. Warburton, Kan‐Sheng Chen, Joseph A. Libera, Christopher S. Johnson, Zhenzhen Yang, Mark C. Hersam, Jeffrey Greeley, Jeffrey W. Elam

Chem · 2018 · 69 citations · 56 references

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56

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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From ultrasoft pseudopotentials to the projector augmented-wave method

Georg Kresse, Daniel P. Joubert · Physical review. B, Condensed matter · 1999 · 83.6K 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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A climbing image nudged elastic band method for finding saddle points and minimum energy paths

Graeme Henkelman, Blas P. Uberuaga, Hannes Jónsson · The Journal of Chemical Physics · 2000 · 21.2K citations

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Building better batteries

Michel Armand, J.-M. Tarascon · Nature · 2008 · 19.3K citations