Concepedia

Breaking trade-off between catalytic activity and carbon deposit by tailoring d-band center of NiFe alloy for dry reforming of carbonate

Su Li, Jinkai Qiu, Zijun Bian, Bin Shao, Zhicheng Liu, Cheng Lian, Honglai Liu, Jun Hu

Applied Catalysis B: Environmental · 2025 · 12 citations · 47 references

DOI

Concepts

References

47

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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Special points for Brillouin-zone integrations

Hendrik J. Monkhorst, J.D. Pack · Physical review. B, Solid state · 1976 · 70.3K citations

, , +6

Semiempirical GGA‐type density functional constructed with a long‐range dispersion correction

Stefan Grimme · Journal of Computational Chemistry · 2006 · 30.8K citations

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Resolving surface chemical states in XPS analysis of first row transition metals, oxides and hydroxides: Cr, Mn, Fe, Co and Ni

Mark C. Biesinger, Brad P. Payne, Andrew P. Grosvenor et al. · Applied Surface Science · 2010 · 10.8K citations

, , +16

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

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

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