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| Titre: | Mechanistic details of methane dry reforming on copper-nickel bimetallic surfaces |
| Auteur(s): | Boualouache, Adel
Boucenna, Ali |
| Mots-clés: | Methane dry reforming
Cu-Ni
DFT
Carbon resistance |
| Date de publication: | 2020 |
| Editeur: | Elsevier |
| Collection/Numéro: | Chemical Physics Letters Volume 739, January 2020, 136995; |
| Résumé: | Using spin polarized DFT, we performed mechanistic studies of methane dry reforming on Cu-Ni bimetallic
surfaces. We computed the local density of states (LDOS) of intermediates/surfaces to analyse chemical bonding
on different Cu-Ni alloys. Our results show that carbon resistance of low Cu amount surfaces is related to a
reduced interaction of CH 1π orbital with 3d states. Likewise, the lowering of (1π, 2π* −3d) binding intensity,
catalyses CO desorption rather than its retention and/or activation, enhancing CO anti-poisoning. |
| URI/URL: | http://dlibrary.univ-boumerdes.dz:8080/handle/123456789/5842 |
| ISSN: | 0009-2614 |
| Collection(s) : | Publications Internationales
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