Concepedia

Finite Size Effects in Chemical Bonding: From Small Clusters to Solids

Jesper Kleis, Jeffrey Greeley, Nichols A. Romero, Vitali Morozov, Hanne Falsig, Ask Hjorth Larsen, Junling Lu, J. J. Mortensen, Marcin Dułak, Kristian S. Thygesen,

Catalysis Letters · 2011 · 271 citations · 23 references

DOI

Concepts

References

23

Projector augmented-wave method

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

, , +17

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

, , +17

Onset of Catalytic Activity of Gold Clusters on Titania with the Appearance of Nonmetallic Properties

Mika Valden, X. Lai, D. Wayne Goodman · Science · 1998 · 4.1K citations

, , +17

Novel Gold Catalysts for the Oxidation of Carbon Monoxide at a Temperature far Below 0 °C

Masatake Haruta, Tetsuhiko Kobayashi, Hiroshi Sano et al. · Chemistry Letters · 1987 · 3.1K citations

, , +17

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