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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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