International audienceWe report a density-functional study of some properties of the dissociative interaction of hydrogen and oxygen molecules on small palladium clusters (n ) 5, 7, and 10). The calculated physisorption and chemisorption energies are compared with those of the infinite (111) palladium surface. First, adsorption of atomic hydrogen and oxygen is investigated on the Pd5, Pd7, and Pd10 clusters. Second, the interaction between H2 (O2) and the small Pd5 cluster is examined and compared to the process occurring on an infinite (111) surface. Finally, the simultaneous adsorption of two hydrogen (oxygen) atoms is analyzed in detail. As shown in a previous work, the binding energy of the first hydrogen (oxygen) atom does not depend s...
Adsorption and desorption of hydrogen by gas-phase Pd clusters, Pd<sub><i>n</i></sub><sup>+</sup>, w...
High-resolution core-level spectroscopy (HRCLS) and density functional theory (DFT) calculations hav...
High-resolution core-level spectroscopy (HRCLS) and density functional theory (DFT) calculations hav...
We report a density-functional study of some properties of the dissociative interaction of hydrogen ...
The adsorption of oxygen and hydrogen (deuterium) on small neutral palladium clusters was investigat...
The adsorption of oxygen and hydrogen (deuterium) on small neutral palladium clusters was investigat...
Adsorption of an H<sub>2</sub> molecule on Pd<sub><i>N</i></sub> clusters (<i>N</i> = 2–4, 7, 13, 19...
Hydrogen adsorption on palladium atoms pre-adsorbed on a tin oxide semiconductor has been studied an...
In this review, we present our recent first principles studies on the sequential H-2 dissociative ch...
Density functional theory calculations are used to investigate ethylene hydrogenation over palladium...
The adsorption of H₂ on a series of gas-phase transition metal (scandium, vanadium, iron, cobalt, a...
Density functional theory calculations are used to investigate ethylene hydrogenation over palladium...
The adsorption of H₂ on a series of gas-phase transition metal (scandium, vanadium, iron, cobalt, an...
The adsorption of H₂ on a series of gas-phase transition metal (scandium, vanadium, iron, cobalt, an...
The adsorption of H2 on a series of gas-phase transition metal (scandium, vanadium, iron, cobalt, an...
Adsorption and desorption of hydrogen by gas-phase Pd clusters, Pd<sub><i>n</i></sub><sup>+</sup>, w...
High-resolution core-level spectroscopy (HRCLS) and density functional theory (DFT) calculations hav...
High-resolution core-level spectroscopy (HRCLS) and density functional theory (DFT) calculations hav...
We report a density-functional study of some properties of the dissociative interaction of hydrogen ...
The adsorption of oxygen and hydrogen (deuterium) on small neutral palladium clusters was investigat...
The adsorption of oxygen and hydrogen (deuterium) on small neutral palladium clusters was investigat...
Adsorption of an H<sub>2</sub> molecule on Pd<sub><i>N</i></sub> clusters (<i>N</i> = 2–4, 7, 13, 19...
Hydrogen adsorption on palladium atoms pre-adsorbed on a tin oxide semiconductor has been studied an...
In this review, we present our recent first principles studies on the sequential H-2 dissociative ch...
Density functional theory calculations are used to investigate ethylene hydrogenation over palladium...
The adsorption of H₂ on a series of gas-phase transition metal (scandium, vanadium, iron, cobalt, a...
Density functional theory calculations are used to investigate ethylene hydrogenation over palladium...
The adsorption of H₂ on a series of gas-phase transition metal (scandium, vanadium, iron, cobalt, an...
The adsorption of H₂ on a series of gas-phase transition metal (scandium, vanadium, iron, cobalt, an...
The adsorption of H2 on a series of gas-phase transition metal (scandium, vanadium, iron, cobalt, an...
Adsorption and desorption of hydrogen by gas-phase Pd clusters, Pd<sub><i>n</i></sub><sup>+</sup>, w...
High-resolution core-level spectroscopy (HRCLS) and density functional theory (DFT) calculations hav...
High-resolution core-level spectroscopy (HRCLS) and density functional theory (DFT) calculations hav...