most citedFirst-principles statistical mechanics study of the stability of a sub-nanometer thin surface oxide in reactive environments: CO oxidation at Pd(100)

140 citations · 297 across the 3 of their papers we have counts for

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cond-mat.mtrl-sci2009★ 116 cited

Experimental and theoretical study of oxygen adsorption structures on Ag(111)

Joachim Schnadt, Jan Knudsen, Xiao Liang Hu +7

The oxidized Ag(111) surface has been studied by a combination of experimental and theoretical methods, scanning tunneling microscopy (STM), x-ray photoelectron spectroscopy (XPS),…

cond-mat.mtrl-sci2006★ 140 cited

First-principles statistical mechanics study of the stability of a sub-nanometer thin surface oxide in reactive environments: CO oxidation at Pd(100)

Jutta Rogal, Karsten Reuter, Matthias Scheffler

We employ a multiscale modeling approach to study the surface structure and composition of a Pd(100) model catalyst in reactive environments. Under gas phase conditions representat…