Concepedia

Location and coordination of promoter atoms in Co- and Ni-promoted MoS2-based hydrotreating catalysts

Jeppe V. Lauritsen, Jakob Kibsgaard, Georg H. Olesen, Poul Georg Moses, Berit Hinnemann, Stig Helveg, Jens K. Nørskov, Bjerne S. Clausen, Henrik Topsøe, Erik Lægsgaard,

Journal of Catalysis · 2007 · 492 citations · 65 references

DOI

Concepts

References

65

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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Soft self-consistent pseudopotentials in a generalized eigenvalue formalism

David Vanderbilt · Physical review. B, Condensed matter · 1990 · 22.9K citations

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Atoms, molecules, solids, and surfaces: Applications of the generalized gradient approximation for exchange and correlation

John P. Perdew, J. A. Chevary, S. H. Vosko et al. · Physical review. B, Condensed matter · 1992 · 22K citations

, , +16

Efficient pseudopotentials for plane-wave calculations

N. Troullier, José Luı́s Martins · Physical review. B, Condensed matter · 1991 · 16.1K citations

, , +14

Improved adsorption energetics within density-functional theory using revised Perdew-Burke-Ernzerhof functionals

Bjørk Hammer, L. B. Hansen, Jens K. Nørskov · Physical review. B, Condensed matter · 1999 · 8.2K citations · Full text

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