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- W3200044575 abstract "The low-palladium Pd/TaN–C catalyst is synthesized by a surfactant-free solvothermal approach and exhibits high activity (2613.18 mA mg Pd −1 ), durability and CO tolerance for MOR (methanol oxidation reaction) in alkaline media, 12.4 folds that of the commercial Pd/C. XPS and electrochemical results indicate that the interfacial Pd–TaNO bond is generated. This also brings the enhancement of OH ad adsorption responsible for anti-CO poisoning ability. Density Functional Theory (DFT) calculations indicate that the reaction pathway and the rate-determining step are changed for methanol decomposition to CO on the Pd 4 /TaN(001) surface compared with Pd (111). The preferred pathway can be described as: CH 3 OH→CH 3 O→CH 2 O→CHO→CO. Furthermore, the results indicate that the adsorption of OH is enhanced and the energy barrier of COOH formation from CO + OH is reduced with the high concentration of hydroxyl on the Pd 4 /TaN(001) surface, further confirming the bi-functional effect of hydroxyl on the CO tolerance. • The Pd/TaN–C catalyst exhibits high catalytic performance for MOR. • The enhanced OH adsorption on Pd/TaN–C is responsible for the enhanced CO tolerance. • DFT indicate that the reaction pathway and the rate-determining step are changed. • The preferred pathway can be described as: CH3OH → CH3O → CH2O → CHO → CO." @default.
- W3200044575 created "2021-09-27" @default.
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- W3200044575 date "2021-10-01" @default.
- W3200044575 modified "2023-10-18" @default.
- W3200044575 title "Probing the enhanced methanol electrooxidation mechanism by promoted CO tolerance on the Pd catalyst modified with TaN: A combined experimental and theoretical study" @default.
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- W3200044575 doi "https://doi.org/10.1016/j.ijhydene.2021.09.056" @default.
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