Density functional investigation of oxygen reduction reaction on Pt3Pd alloy electrocatalyst
نویسندگان
چکیده
منابع مشابه
Pt Monolayer Electrocatalyst for Oxygen Reduction Reaction on Pd-Cu Alloy: First-Principles Investigation
First principles approach is used to examine geometric and electronic structure of the catalyst concept aimed to improve activity and utilization of precious Pt metal for oxygen reduction reaction in fuel cells. The Pt monolayers on Pd skin and Pd1−xCux inner core for various compositions x were examined by building the appropriate models starting from Pd-Cu solid solution. We provided a detail...
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For the large-scale sustainable implementation of polymer electrolyte membrane fuel cells in vehicles, high-performance electrocatalysts with low platinum consumption are desirable for use as cathode material during the oxygen reduction reaction in fuel cells. Here we report a carbon black-supported cost-effective, efficient and durable platinum single-atom electrocatalyst with carbon monoxide/...
متن کاملElectrocatalytic properties of platinum and it's binary alloy with vanadium in oxygen reduction reaction(ORR)
The electrocatalysis of the oxygen reduction reaction (ORR) on carbon supportedPt-V (1:1) catalyst in polymer electrolyte fuel cells (PEFC) was investigated. Atan oxygen pressure of one atm an enhanced electrocatalytic property of Pt-V/Ccompared with Pt/C is revealed. These results indicate the occurrence of adifferent electrocatalytic mechanism for the ORR on Pt/C and Pt-V/C. Anincrease of mas...
متن کاملEstimations of electric field effects on the oxygen reduction reaction based on the density functional theory.
By varying the external electric field in density functional theory (DFT) calculations we have estimated the impact of the local electric field in the electric double layer on the oxygen reduction reaction (ORR). Potentially, including the local electric field could change adsorption energies and barriers substantially, thereby affecting the reaction mechanism predicted for ORR on different met...
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ژورنال
عنوان ژورنال: Materials Research Express
سال: 2020
ISSN: 2053-1591
DOI: 10.1088/2053-1591/ab62f0