DFT study of interaction between a hydrogen molecule and AgY-zeolite
The cationic exchange of H by Ag in a HY- zeolite is carried out to study the adsorption of a hydrogen molecule in an AgY-zeolite, which is achieved by means of a BOMD simulation. The chosen zeolite model is representative of adsorbent materials when a cation Ag forms part of surface fragments, and...
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| Publié dans: | Revista Mexicana de Física |
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| Auteurs principaux: | , , , |
| Format: | Artigo |
| Langue: | Inglês |
| Publié: |
Sociedad Mexicana de Física A.C.
2014
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| Sujets: | |
| Accès en ligne: | https://www.redalyc.org/articulo.oa?id=57032591008 |
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