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19972017
most citedAb initio calculation of the potential energy surface for the dissociation of H_2 on the sulfur covered Pd(100) surface

46 citations · 96 across the 3 of their papers we have counts for

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Showing 1998 · cond-matShow all

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cond-mat1998★ 45 cited

Poisoning of Hydrogen Dissociation at Pd (100) by Adsorbed Sulfur Studied by ab initio Quantum Dynamics and ab initio Molecular Dynamics

Axel Gross, Ching-Ming Wei, Matthias Scheffler

We report calculations of the dissociative adsorption of H_2 at Pd (100) covered with 1/4 monolayer of sulfur using quantum dynamics as well as molecular dynamics and taking all si…