Add to ORKGThe lattice gas model with hcp and fcc sites is used to study the O/Ru(0 0 0 1) adsorbate system. With interactions obtained from density functional theory its phase diagram is calculated using Monte Carlo simulations. Good quali-tative agreement is obtained between experiment and theory; better quantitative agreement occurs if the interactions are scaled by a factor of 3/4. A ð ffiffiffi3p ffiffiffi3p ÞR30 structure at a coverage of 2/3 ML is predicted. 2002 Elsevier Science B.V. All rights reserved. 1
ABSTRACT: The theoretical study of catalysis would sub-stantialy benefit from the use of atomistic s...
The structure of the (√3 × √3 )R30° overlayer formed by coadsorption of Cs and O atoms (θCs=θ0=0.33)...
We employ a first-principles lattice-gas Hamiltonian (LGH) approach to determine the lateral interac...
The chemisorption of oxygen on the Ru(001) surface shows ordered p(2×2) and p(1×2) phases at coverag...
A kinetic lattice gas model is used to study the equilibrium properties and the desorption kinetics ...
Understanding the complex behavior of particles at surfaces requires detailed knowledge of both macr...
Equilibrium fluctuations of islands of adsorbed O atoms on Ru(0001) were investigated by scanning tu...
The temperature-dependent probability of occupation of the two threefold-coordinated adsorption site...
International audienceRadioactive gaseous ruthenium tetroxide (RuO4) can be released into the enviro...
Interest in transition metal surfaces has grown in fields such as catalysts and semiconductors. Mode...
Using density-functional theory we found that, depending on coverage, coadsorbed oxygen can act both...
Ruthenium(IV)oxide (RuO2) is a material used for various purposes. It acts as a catalytic agent in s...
International audienceA deeper understanding of the relationship between experimental reaction condi...
Using density functional theory and an exchange–correlation functional that includes the van der Waa...
The coadsorption of N and O on Ru(0001) has been studied by scanning tunneling microscopy; by this t...
ABSTRACT: The theoretical study of catalysis would sub-stantialy benefit from the use of atomistic s...
The structure of the (√3 × √3 )R30° overlayer formed by coadsorption of Cs and O atoms (θCs=θ0=0.33)...
We employ a first-principles lattice-gas Hamiltonian (LGH) approach to determine the lateral interac...
The chemisorption of oxygen on the Ru(001) surface shows ordered p(2×2) and p(1×2) phases at coverag...
A kinetic lattice gas model is used to study the equilibrium properties and the desorption kinetics ...
Understanding the complex behavior of particles at surfaces requires detailed knowledge of both macr...
Equilibrium fluctuations of islands of adsorbed O atoms on Ru(0001) were investigated by scanning tu...
The temperature-dependent probability of occupation of the two threefold-coordinated adsorption site...
International audienceRadioactive gaseous ruthenium tetroxide (RuO4) can be released into the enviro...
Interest in transition metal surfaces has grown in fields such as catalysts and semiconductors. Mode...
Using density-functional theory we found that, depending on coverage, coadsorbed oxygen can act both...
Ruthenium(IV)oxide (RuO2) is a material used for various purposes. It acts as a catalytic agent in s...
International audienceA deeper understanding of the relationship between experimental reaction condi...
Using density functional theory and an exchange–correlation functional that includes the van der Waa...
The coadsorption of N and O on Ru(0001) has been studied by scanning tunneling microscopy; by this t...
ABSTRACT: The theoretical study of catalysis would sub-stantialy benefit from the use of atomistic s...
The structure of the (√3 × √3 )R30° overlayer formed by coadsorption of Cs and O atoms (θCs=θ0=0.33)...
We employ a first-principles lattice-gas Hamiltonian (LGH) approach to determine the lateral interac...