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Design of an Oxygen Reduction Catalyst for Direct Methanol Fuel Cells / Jing Xu in Industrial & engineering chemistry research, Vol. 49 N° 21 (Novembre 2010) 

Public ISBD [article]  in Industrial & engineering chemistry research > Vol. 49 N° 21 (Novembre 2010) . - pp. 10251-10253 Titre : Design of an Oxygen Reduction Catalyst for Direct Methanol Fuel Cells Type de document : texte imprimé Auteurs : Jing Xu, Auteur ; Jinhua Yang, Auteur ; Jim Yang Lee, Auteur Année de publication : 2011 Article en page(s) : pp. 10251-10253 Note générale : Chimie industrielle Langues : Anglais (eng) Mots-clés : Fuel  cell  Catalyst  Conception Résumé : First principle calculations were used to screen the activity of core-shell oxygen reduction reaction (ORR) electrocatalysts for use in direct methanol fuel cells (DMFCs). Density functional theory (DFT) calculations indicate that the subsurface addition of 3d transition metals improves the activity of a Pd3Pt electrocatalyst by reducing its oxygen binding energy. Optimal activity close to the maximum of the ORR volcano curve is predicted for Pd3Fe@Pd3Pt and Pd3Mn@Pd3Pt core-shell catalysts. To validate the theoretical predictions, a series of Pd3M@Pd3Pt/C electrocatalysts (M = Ni, Co, Fe, and Cr) was prepared by galvanic replacement. Optimal activity and high methanol tolerance were observed for Pd3Fe@Pd3Pt. Compared with commercial Pt catalysts, the Pd3M@Pd3Pt structured catalysts utilize less platinum and yet display favorable ORR activity and selectivity. ISSN : 0888-5885 En ligne : http://cat.inist.fr/?aModele=afficheN&cpsidt=23447914 [article] Design of an Oxygen Reduction Catalyst for Direct Methanol Fuel Cells [texte imprimé] / Jing Xu, Auteur ; Jinhua Yang, Auteur ; Jim Yang Lee, Auteur . - 2011 . - pp. 10251-10253. Chimie industrielle Langues : Anglais (eng) in Industrial & engineering chemistry research > Vol. 49 N° 21 (Novembre 2010) . - pp. 10251-10253 Mots-clés : Fuel  cell  Catalyst  Conception Résumé : First principle calculations were used to screen the activity of core-shell oxygen reduction reaction (ORR) electrocatalysts for use in direct methanol fuel cells (DMFCs). Density functional theory (DFT) calculations indicate that the subsurface addition of 3d transition metals improves the activity of a Pd3Pt electrocatalyst by reducing its oxygen binding energy. Optimal activity close to the maximum of the ORR volcano curve is predicted for Pd3Fe@Pd3Pt and Pd3Mn@Pd3Pt core-shell catalysts. To validate the theoretical predictions, a series of Pd3M@Pd3Pt/C electrocatalysts (M = Ni, Co, Fe, and Cr) was prepared by galvanic replacement. Optimal activity and high methanol tolerance were observed for Pd3Fe@Pd3Pt. Compared with commercial Pt catalysts, the Pd3M@Pd3Pt structured catalysts utilize less platinum and yet display favorable ORR activity and selectivity. ISSN : 0888-5885 En ligne : http://cat.inist.fr/?aModele=afficheN&cpsidt=23447914