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Relating adatom emission to improved durability of Pt–Pd diesel oxidation catalysts

Tyne R. Johns, Ronald S. Goeke, Valerie Ashbacher, Peter C. Thüne, J. W. Niemantsverdriet, Boris Kiefer, Chang Hwan Kim, Michael P. Balogh, Abhaya K. Datye

Journal of Catalysis · 2015 · 88 citations · 29 references

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29

Projector augmented-wave method

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

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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

, , +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

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

<i>Ab initio</i>molecular dynamics for open-shell transition metals

Georg Kresse, J. Häfner · Physical review. B, Condensed matter · 1993 · 8.2K citations

, , +14