JOURNAL ARTICLE
RESEARCH SUPPORT, U.S. GOV'T, NON-P.H.S.
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Active sites for tandem reactions of CO 2 reduction and ethane dehydrogenation.

Ethylene (C2 H4 ) is one of the most important raw materials for chemical industry. The tandem reactions of CO2 -assisted dehydrogenation of ethane (C2 H6 ) to ethylene creates an opportunity to effectively use the underutilized ethane from shale gas while mitigating anthropogenic CO2 emissions. Here we identify the most likely active sites over CeO2 -supported NiFe catalysts by using combined in situ characterization with density-functional theory (DFT) calculations. The experimental and theoretical results reveal that the Ni-FeO x interfacial sites can selectively break the C-H bonds and preserve the C-C bond of C2 H6 to produce ethylene, while the Ni-CeO x interfacial sites efficiently cleave all of the C-H and C-C bonds to produce synthesis gas. Controlled synthesis of the two distinct active sites enables rational enhancement of the ethylene selectivity for the CO2 -assisted dehydrogenation of ethane.

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