“First-Principles” kinetic monte carlo simulations revisited: CO oxidation over RuO2(110)

Adlayer inhomogeneity without lateral interactions: Rationalizing correlation effects in CO oxidation at RuO2(110) with first-principles kinetic Monte Carlo

(2011) Sebastian Matera et al.   JOURNAL OF CHEMICAL PHYSICS

Selective oxidation of ammonia on RuO2(110): A combined DFT and KMC study

(2010) Sampyo Hong et al.   JOURNAL OF CATALYSIS

Accurate surface and adsorption energies from many-body perturbation theory

(2010) L. Schimka et al.   NATURE MATERIALS

Intimate interplay of theory and experiments in model catalysis

(2009) Ari P. Seitsonen et al.   SURFACE SCIENCE

Examination of the concept of degree of rate control by first-principles kinetic Monte Carlo simulations

(2009) Hakim Meskine et al.   SURFACE SCIENCE

In situ structure–activity correlation experiments of the ruthenium catalyzed CO oxidation reaction

(2008) H. Over et al.   CATALYSIS TODAY

Heterogeneous oxidation catalysis on ruthenium: bridging the pressure and materials gaps and beyond

(2008) J Assmann et al.   JOURNAL OF PHYSICS-CONDENSED MATTER

Effect of Surface Nanostructure on Temperature Programmed Reaction Spectroscopy: First-Principles Kinetic Monte Carlo Simulations of CO Oxidation atRuO2(110)

(2008) Michael Rieger et al.   PHYSICAL REVIEW LETTERS

Direct comparison of the reactivity of the non-oxidic phase of Ru(0001) and the RuO2 phase in the CO oxidation reaction

(2008) H. Over et al.   SURFACE SCIENCE

Ambient pressure photoelectron spectroscopy: A new tool for surface science and nanotechnology

(2008) M SALMERON et al.   SURFACE SCIENCE REPORTS