activity
20032008
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 · 421 across the 5 of their papers we have counts for

collaborators
Showing 2006Show all

2 papers · 1 filter

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…

cond-mat.mtrl-sci2006★ 19 cited

Density-functional theory investigation of oxygen adsorption at Pd(11N)(N=3,5,7) vicinal surfaces

Yongsheng Zhang, Jutta Rogal, Karsten Reuter

We present a density-functional theory study addressing the on-surface adsorption of oxygen at the Pd(11N) (N =3,5,7) vicinal surfaces, which exhibit (111) steps and (100) terraces…