Potential energy of H2 dissociation and adsorption on Pt(111) surface: First-principles calculation

Potential energy of H2 dissociation and adsorption on Pt(111) surface: First-principles calculation

We investigate the interaction of molecular hydrogen with the Pt surface. In particular, we calculate the potential energy surfaces (PESs) corresponding to the dissociative adsorption of H2 at different symmetric sites on the Pt(111) surface and for parallel and perpendicular orientations of H 2 wit...

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Bibliographic Details
Main Authors: Arboleda, Nelson B., Jr., Kasai, Hideaki, Dino, Wilson Agerico, Nakanishi, Hiroshi
Format: text
Published: Animo Repository 2007
Subjects:
Adsorption
Density functionals
Dissociation
Potential energy surfaces
Physics
Online Access:https://animorepository.dlsu.edu.ph/faculty_research/1355
https://animorepository.dlsu.edu.ph/context/faculty_research/article/2354/type/native/viewcontent
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Institution: De La Salle University

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https://animorepository.dlsu.edu.ph/faculty_research/1355
https://animorepository.dlsu.edu.ph/context/faculty_research/article/2354/type/native/viewcontent

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