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• W2550611874 abstract "The catalytic oxidative dehydrogenation of hydrocarbons is an industrially important process, in which selectivity is a key issue. We here investigate the conversion of methanol to formaldehyde on a vanadia surface employing long timescale simulations, reaching a time scale of seconds. In particular, we compare the thermal process to the case where an additional external electric field is applied, as would be the case in a direct plasma‐catalysis setup. We find that the electric field influences the retention time of the molecules at the catalyst surface. These simulations provide an atomic scale insight in the thermal catalytic oxidative dehydrogenation process, and in how an external electric field may affect this process." @default.
• W2550611874 created "2016-11-30" @default.
• W2550611874 creator A5050558998 @default.
• W2550611874 creator A5088848312 @default.
• W2550611874 date "2016-11-08" @default.
• W2550611874 modified "2023-10-16" @default.
• W2550611874 title "Effect of electric fields on plasma catalytic hydrocarbon oxidation from atomistic simulations" @default.
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• W2550611874 doi "https://doi.org/10.1002/ppap.201600158" @default.
• W2550611874 hasPublicationYear "2016" @default.
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