61 research outputs found
Potential Energy Surface for H_2 Dissociation over Pd(100)
The potential energy surface (PES) of dissociative adsorption of H_2 on
Pd(100) is investigated using density functional theory and the full-potential
linear augmented plane wave (FP-LAPW) method. Several dissociation pathways are
identified which have a vanishing energy barrier. A pronounced dependence of
the potential energy on ``cartwheel'' rotations of the molecular axis is found.
The calculated PES shows no indication of the presence of a precursor state in
front of the surface. Both results indicate that steering effects determine the
observed decrease of the sticking coefficient at low energies of the H_2
molecules. We show that the topology of the PES is related to the dependence of
the covalent H(s)-Pd(d) interactions on the orientation of the H_2 molecule.Comment: RevTeX, 8 pages, 5 figures in uufiles forma
Direct treatment of nerve lesions in brachial plexus injuries by adult ? A series of 100 operated cases
Tendon transfers to restore elbow flexion after traumatic paralysis of the brachial plexus in adults
Surgical Anatomy of Spinal Accessory Nerve: Is Trapezius Functional Deficit Inevitable after Division of the Nerve?
- …