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- W2892800396 abstract "Microkinetic analysis combined with the results obtained from density functional theory calculations has been performed to examine the catalytic activity and selectivity of Pt-based core-shell alloy catalysts for propane dehydrogenation. Calculated results indicate that substitution of 11 late transition metals for the core region of Pt nanoparticles would significantly modify the electronic structure of the surface Pt atoms through the strain effect and charge transfer. The core-shell catalysts are found to have less negative propylene adsorption energies and higher activation energies for the dehydrogenation reactions than Pt, thus giving rise to a lower catalytic activity and a higher selectivity toward propylene. Linear chemisorption energy and transition state energy scaling relations hold very well in the present work, and the adsorption energy of propylene is identified to be a good descriptor to represent the overall kinetics. The scaling relations also suggest that a higher catalyst selectivity toward propylene can only be achieved at the expense of a lower catalytic activity for propane dehydrogenation. If a compromise is made between catalytic activity and catalyst selectivity, [email protected] is proposed to be the best core-shell catalyst for propane dehydrogenation." @default.
- W2892800396 created "2018-10-05" @default.
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- W2892800396 date "2019-12-01" @default.
- W2892800396 modified "2023-10-16" @default.
- W2892800396 title "Improved selectivity and coke resistance of core-shell alloy catalysts for propane dehydrogenation from first principles and microkinetic analysis" @default.
- W2892800396 cites W1128185712 @default.
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- W2892800396 cites W1732273204 @default.
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- W2892800396 cites W1972725254 @default.
- W2892800396 cites W1973634181 @default.
- W2892800396 cites W1974742056 @default.
- W2892800396 cites W1976600523 @default.
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- W2892800396 cites W1978607450 @default.
- W2892800396 cites W1978885192 @default.
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- W2892800396 cites W2007740449 @default.
- W2892800396 cites W2011158115 @default.
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- W2892800396 doi "https://doi.org/10.1016/j.cej.2018.09.210" @default.
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