Coverage effects in the adsorption of H2 on Pd(100) studied by ab initio molecular dynamics simulations

Molecular dynamics simulation of a complex surface reaction: The effect of coverage onH2dissociation on Pd(111)

(2011) Y. Xiao et al.   PHYSICAL REVIEW B

Modeling of hydrogen vacancy for dissociative adsorption of H2 on Pd (111) surface by a quantum chemical molecular dynamics

(2010) Farouq Ahmed et al.   CATALYSIS TODAY

Ab Initio Molecular Dynamics Simulations of the Adsorption of H2 on Palladium Surfaces

(2010) Axel Groß   CHEMPHYSCHEM

Molecular dynamics study ofH2dissociation on H-covered Pd(100)

(2010) A. Lozano et al.   PHYSICAL REVIEW B

Quantum delocalization and correlation effects in one-dimensional chains of adsorbed hydrogen atoms

(2010) Benjamin Berberich et al.   PHYSICAL REVIEW B

Adsorption dynamics of H2 on Pd(100) from first principles

(2009) A. Lozano et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

Ab InitioMolecular Dynamics Study of Hot Atom Dynamics after Dissociative Adsorption ofH2on Pd(100)

(2009) Axel Groß   PHYSICAL REVIEW LETTERS