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    Unravelling the key factors in the chlorine-promoted epoxidation of ethylene over a silver-copper oxide nanocatalyst

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    Type
    Article
    Authors
    Urbiztondo, Miguel
    Ramirez, Adrian
    Hueso, Jose L cc
    Santamaria, Jesus
    Ruiz-Salvador, A Rabdel cc
    Hamad, Said cc
    KAUST Department
    Catalysis Center Department King Abdullah University of Science and Technology, KAUST, 4700 Thuwal 23955-6900, Kingdom of Saudi Arabia
    KAUST Catalysis Center (KCC)
    Date
    2022-04-19
    Embargo End Date
    2023-04-19
    Permanent link to this record
    http://hdl.handle.net/10754/676734
    
    Metadata
    Show full item record
    Abstract
    Ethylene oxide is one of the most important raw materials in the chemical industry, with an annual production close to 35 million metric tons. Despite its importance, to date, no metal has been found that can compete with the original silver bulk material catalyst discovered in 1931. Recently, a few copper and copper–silver based nanostructures have demonstrated remarkable selectivity and activity, especially when coupled with an industrial chlorine promoter. The present work evaluates the mechanistic role of chlorine as an active promoter of the selective oxidation of ethylene to ethylene oxide in the presence of a silver–copper oxide hybrid nanocatalyst (AgCuO). Experimental kinetic studies combined with density functional theory (DFT) calculations provide insight into the influence that Ag/CuO-supported chlorine atoms have over the ethylene epoxidation reaction. Remarkably, the typically described indirect route via the formation of an oxametallacycle (OMC) is also accompanied by a direct route. Furthermore, the presence of chlorine seems to facilitate a more favorable adsorption energy for ethylene oxide (EO) than for acetaldehyde (AA), the main reaction by-product. As a result, complete oxidation of EO can be further prevented in the presence of this AgCuO hybrid heteronanostructure.
    Citation
    Urbiztondo, M., Ramirez, A., Hueso, J. L., Santamaria, J., Ruiz-Salvador, A. R., & Hamad, S. (2022). Unravelling the key factors in the chlorine-promoted epoxidation of ethylene over a silver–copper oxide nanocatalyst. Nanoscale. https://doi.org/10.1039/d2nr00702a
    Sponsors
    We acknowledge financial support from the European Research Council ERC-Advanced Grant HECTOR (project number 267626) is gratefully acknowledged. The computations were performed on resources provided by the supercomputer “Caesaraugusta” (node of the Spanish Supercomputer Network) provided by BIFI (Universidad de Zaragoza). The TEM studies were conducted at the Laboratorio de Microscopias Avanzadas, Instituto de Nanociencia de Aragon, Universidad de Zaragoza, Spain. S.H. acknowledges funding from the Agencia Estatal de Investigación and the Ministerio de Ciencia, Innovación y Universidades, of Spain (PID2019-110430G B-C22), and from the EU FEDER Framework 2014-2020 and Consejería de Conocimiento, Investigación y Universidad of the Andalusian Government (FEDER-UPO-1265695). The synthesis of materials has been performed by the Platform of Production of Biomaterials and Nanoparticles of the NANBIOSIS ICTS, more specifically by the Nanoparticle Synthesis Unit of the CIBER in BioEngineering, Biomaterials & Nanomedicine (CIBER-BBN).
    Publisher
    Royal Society of Chemistry (RSC)
    Journal
    Nanoscale
    DOI
    10.1039/d2nr00702a
    PubMed ID
    35535713
    Additional Links
    http://xlink.rsc.org/?DOI=D2NR00702A
    ae974a485f413a2113503eed53cd6c53
    10.1039/d2nr00702a
    Scopus Count
    Collections
    Articles; KAUST Catalysis Center (KCC)

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