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Identification of durable and non-durable FeNx sites in Fe–N–C materials for proton exchange membrane fuel cells

Jingkun Li, Moulay Tahar Sougrati, Andrea Zitolo, J. M. Ablett, Ismail Can Oğuz, Tzonka Mineva, Ivana Matanović, Plamen Atanassov, Ying Huang, Iryna V. Zenyuk,

Nature Catalysis · 2020 · 705 citations · 61 references

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61

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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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

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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

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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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