Concepedia

Tailoring d-band center over electron traversing effect of NiM@C-CoP (M=Zn, Mo, Ni, Co) for high-performance electrocatalysis hydrogen evolution

Hao Luo, Xudong Zhang, Hui Zhu, Kexin Zhang, Fan Yang, Kewei Xu, Sen Yu, Dagang Guo

Journal of Material Science and Technology · 2023 · 32 citations · 36 references

DOI

Concepts

References

36

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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A consistent and accurate<i>ab initio</i>parametrization of density functional dispersion correction (DFT-D) for the 94 elements H-Pu

Stefan Grimme, Jens Antony, Stephan Ehrlich et al. · The Journal of Chemical Physics · 2010 · 56.9K citations

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