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• W3092649185 abstract "A DFT based micro-kinetics model is established to address the roles of the active site, the catalyst composition and the reaction conditions on the C 2 H 4 activity and selectivity from EDH, which provides a comprehensive understanding of observed experimental phenomenon during EDH. • DFT based micro-kinetics model is established to understand ethane dehydrogenation. • Step sites have higher EDH activity than close-packed terrace sites. • Alloying Pt with Sn increases C 2 H 4 selectivity by suppressing side-reactions. • Pt 3 Sn (211) surface represents the most promising catalyst structure." @default.
• W3092649185 created "2020-10-15" @default.
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• W3092649185 date "2021-07-01" @default.
• W3092649185 modified "2023-10-16" @default.
• W3092649185 title "Identifying factors controlling the selective ethane dehydrogenation on Pt-based catalysts from DFT based micro-kinetic modeling" @default.
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• W3092649185 doi "https://doi.org/10.1016/j.jechem.2020.09.034" @default.
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