Concepedia

Methane oxidation over Pd and Pt studied by DFT and kinetic modeling

Adriana Trinchero, Anders Hellman, Henrik Grönbeck

Surface Science · 2013 · 110 citations · 56 references

DOI

Concepts

References

56

Generalized Gradient Approximation Made Simple

John P. Perdew, Kieron Burke, Matthias Ernzerhof · Physical Review Letters · 1996 · 211.5K citations · Full text

, , +16

Projector augmented-wave method

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

, , +17

Special points for Brillouin-zone integrations

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

, , +6

Electronic structure calculations with GPAW: a real-space implementation of the projector augmented-wave method

Jussi Enkovaara, C. Rostgaard, J. J. Mortensen et al. · Journal of Physics Condensed Matter · 2010 · 2.3K citations

, , +12

Real-space grid implementation of the projector augmented wave method

Jens Jørgen Mortensen, Lars B. Hansen, Karsten W. Jacobsen · Physical Review B · 2005 · 2.1K citations · Full text

, , +16