On the electrochemical properties of platinum stepped surfaces vicinal to the (100) pole. A computational study

Special points for Brillouin-zone integrations

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

Natural Sciences, Physics, Computational Electromagnetics +6

An all-electron numerical method for solving the local density functional for polyatomic molecules

B. Delley · The Journal of Chemical Physics · 1990 · 10.5K citations · Full text

Natural Sciences, Chemistry, Computational Chemistry +15

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

Natural Sciences, Chemistry, Physics +17

Adsorbate-substrate and adsorbate-adsorbate interactions of Na and K adlayers on Al(111)

Jörg Neugebauer, Matthias Scheffler · Physical review. B, Condensed matter · 1992 · 2.8K citations · Full text

Natural Sciences, Materials Science, Physics +17

Surface science studies of model fuel cell electrocatalysts

Nina Marković · Surface Science Reports · 2002 · 2.1K citations

Natural Sciences, Chemical Engineering, Materials Science +14