000150659 001__ 150659
000150659 005__ 20251017144634.0
000150659 0247_ $$2doi$$a10.1039/d2nr00702a
000150659 0248_ $$2sideral$$a128589
000150659 037__ $$aART-2022-128589
000150659 041__ $$aeng
000150659 100__ $$0(orcid)0000-0002-4931-1358$$aUrbiztondo, Miguel
000150659 245__ $$aUnravelling the key factors in the chlorine-promoted epoxidation of ethylene over a silver-copper oxide nanocatalyst
000150659 260__ $$c2022
000150659 5203_ $$aEthylene oxide is one of the most important raw materials in the chemical industry, with an annual production close to 35 million metric tons. Despite its importance, to date, no metal has been found that can compete with the original silver bulk material catalyst discovered in 1931. Recently, a few copper and copper-silver based nanostructures have demonstrated remarkable selectivity and activity, especially when coupled with an industrial chlorine promoter. The present work evaluates the mechanistic role of chlorine as an active promoter of the selective oxidation of ethylene to ethylene oxide in the presence of a silver-copper oxide hybrid nanocatalyst (AgCuO). Experimental kinetic studies combined with density functional theory (DFT) calculations provide insight into the influence that Ag/CuO-supported chlorine atoms have over the ethylene epoxidation reaction. Remarkably, the typically described indirect route via the formation of an oxametallacycle (OMC) is also accompanied by a direct route. Furthermore, the presence of chlorine seems to facilitate a more favorable adsorption energy for ethylene oxide (EO) than for acetaldehyde (AA), the main reaction by-product. As a result, complete oxidation of EO can be further prevented in the presence of this AgCuO hybrid heteronanostructure.
000150659 536__ $$9info:eu-repo/grantAgreement/EC/ERC/267626/EU/Microwave-Microwave-Assisted Microreactors: Development of a highly efficient gas phase contactor with direct catalyst heating /HECTOR$$9info:eu-repo/grantAgreement/ES/MCIU/PID2019-110430GB-C22
000150659 540__ $$9info:eu-repo/semantics/closedAccess$$aAll rights reserved$$uhttp://www.europeana.eu/rights/rr-f/
000150659 590__ $$a6.7$$b2022
000150659 591__ $$aMATERIALS SCIENCE, MULTIDISCIPLINARY$$b83 / 343 = 0.242$$c2022$$dQ1$$eT1
000150659 591__ $$aPHYSICS, APPLIED$$b27 / 160 = 0.169$$c2022$$dQ1$$eT1
000150659 591__ $$aCHEMISTRY, MULTIDISCIPLINARY$$b43 / 178 = 0.242$$c2022$$dQ1$$eT1
000150659 591__ $$aNANOSCIENCE & NANOTECHNOLOGY$$b37 / 107 = 0.346$$c2022$$dQ2$$eT2
000150659 592__ $$a1.62$$b2022
000150659 593__ $$aNanoscience and Nanotechnology$$c2022$$dQ1
000150659 593__ $$aMaterials Science (miscellaneous)$$c2022$$dQ1
000150659 594__ $$a13.6$$b2022
000150659 655_4 $$ainfo:eu-repo/semantics/article$$vinfo:eu-repo/semantics/publishedVersion
000150659 700__ $$0(orcid)0000-0001-5036-1355$$aRamirez, Adrian
000150659 700__ $$0(orcid)0000-0002-4546-4111$$aHueso, Jose L.$$uUniversidad de Zaragoza
000150659 700__ $$0(orcid)0000-0002-8701-9745$$aSantamaria, Jesus$$uUniversidad de Zaragoza
000150659 700__ $$aRuiz-Salvador, A. Rabdel
000150659 700__ $$aHamad, Said
000150659 7102_ $$15005$$2555$$aUniversidad de Zaragoza$$bDpto. Ing.Quím.Tecnol.Med.Amb.$$cÁrea Ingeniería Química
000150659 773__ $$g14, 19 (2022), 7332-7340$$pNanoscale$$tNanoscale$$x2040-3364
000150659 8564_ $$s2511612$$uhttps://zaguan.unizar.es/record/150659/files/texto_completo.pdf$$yVersión publicada
000150659 8564_ $$s2717017$$uhttps://zaguan.unizar.es/record/150659/files/texto_completo.jpg?subformat=icon$$xicon$$yVersión publicada
000150659 909CO $$ooai:zaguan.unizar.es:150659$$particulos$$pdriver
000150659 951__ $$a2025-10-17-14:28:10
000150659 980__ $$aARTICLE