Abstract
The dissociation phenomena of hydrogen molecule on platinum surface was analyzed by the Molecular Dynamics (MD) Method. The Embedded Atom Method (EAM) was used as the interaction between atoms in order to express the dependence of electron density on the interaction. The parameters were determined so that the results obtained by EAM method were consistent with that obained by Density Functional Theory (DFT). First the Potential Energy Surface (PES) obtained by the EAM were compared with that obtained by DFT to verify the validity of the potential. Next, the collision of a hydrogen molecule with a platinum surface was simulated by MD method and the dissociation probability was obtained.
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