Concepedia

Edge-hosted Fe-N3 sites on a multiscale porous carbon framework combining high intrinsic activity with efficient mass transport for oxygen reduction

Jingjing Liu, Zhichao Gong, Christopher S. Allen, Wen Ge, Haisheng Gong, Jiangwen Liao, Jianbin Liu, Kang Huang, Minmin Yan, Rui Liu,

Chem Catalysis · 2021 · 161 citations · 58 references

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58

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

, , +15

Projector augmented-wave method

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