Matches in SemOpenAlex for { <https://semopenalex.org/work/W2011213349> ?p ?o ?g. }
Showing items 1 to 99 of
99
with 100 items per page.
- W2011213349 endingPage "145" @default.
- W2011213349 startingPage "140" @default.
- W2011213349 abstract "In this work, the hydrogenation of cyclohexene over Ru–Zn/Ru(0 0 0 1) surface alloy was investigated by a DFT study so as to improve the understanding of the catalytic mechanism of the partial hydrogenation of benzene to cyclohexene over Ru–Zn alloy catalyst. Calculation results show that the presence of Zn atoms on the surface alloy results in not only a direct decrease in sites for the chemisorption of cyclohexene but also a depressed adsorption capability of the neighboring surface Ru sites. For an adsorbed cyclohexene molecule, whether the subsequent hydrogenation can be readily performed actually is determined by the relative position among the Zn atom, the H atom, and the adsorbed cyclohexene molecule. In most cases, the hydrogenation is forbidden because of the repulsion from Zn atoms to the nearby H atoms. Only in the specific situations in which the H atom participating in the reaction is not immediately close to the Zn atom, can the hydrogenation be accomplished with a relatively lower activation energy compared with the reactions on the Ru(0 0 0 1) surface. From the perspectives of adsorption and reaction kinetics, Ru-based catalyst modified by metallic Zn is no longer suitable for the hydrogenation of cyclohexene, which is supposed to be crucial to the improvement of cyclohexene yield in the partial hydrogenation of benzene over Ru–Zn alloy catalyst." @default.
- W2011213349 created "2016-06-24" @default.
- W2011213349 creator A5007757193 @default.
- W2011213349 creator A5010036792 @default.
- W2011213349 creator A5017774638 @default.
- W2011213349 creator A5020937968 @default.
- W2011213349 creator A5068791343 @default.
- W2011213349 creator A5090407065 @default.
- W2011213349 date "2009-03-18" @default.
- W2011213349 modified "2023-10-14" @default.
- W2011213349 title "Hydrogenation of cyclohexene over Ru–Zn/Ru(0001) surface alloy: A first principles density functional study" @default.
- W2011213349 cites W1965772282 @default.
- W2011213349 cites W1976018555 @default.
- W2011213349 cites W1987157209 @default.
- W2011213349 cites W1989932666 @default.
- W2011213349 cites W1994968075 @default.
- W2011213349 cites W2008734387 @default.
- W2011213349 cites W2030161697 @default.
- W2011213349 cites W2033230769 @default.
- W2011213349 cites W2034297688 @default.
- W2011213349 cites W2077082349 @default.
- W2011213349 cites W2077912110 @default.
- W2011213349 cites W2132905138 @default.
- W2011213349 cites W242175458 @default.
- W2011213349 cites W2950539602 @default.
- W2011213349 doi "https://doi.org/10.1016/j.molcata.2008.11.028" @default.
- W2011213349 hasPublicationYear "2009" @default.
- W2011213349 type Work @default.
- W2011213349 sameAs 2011213349 @default.
- W2011213349 citedByCount "27" @default.
- W2011213349 countsByYear W20112133492012 @default.
- W2011213349 countsByYear W20112133492013 @default.
- W2011213349 countsByYear W20112133492014 @default.
- W2011213349 countsByYear W20112133492015 @default.
- W2011213349 countsByYear W20112133492018 @default.
- W2011213349 countsByYear W20112133492020 @default.
- W2011213349 countsByYear W20112133492021 @default.
- W2011213349 crossrefType "journal-article" @default.
- W2011213349 hasAuthorship W2011213349A5007757193 @default.
- W2011213349 hasAuthorship W2011213349A5010036792 @default.
- W2011213349 hasAuthorship W2011213349A5017774638 @default.
- W2011213349 hasAuthorship W2011213349A5020937968 @default.
- W2011213349 hasAuthorship W2011213349A5068791343 @default.
- W2011213349 hasAuthorship W2011213349A5090407065 @default.
- W2011213349 hasConcept C147789679 @default.
- W2011213349 hasConcept C149635348 @default.
- W2011213349 hasConcept C150394285 @default.
- W2011213349 hasConcept C161790260 @default.
- W2011213349 hasConcept C178790620 @default.
- W2011213349 hasConcept C179104552 @default.
- W2011213349 hasConcept C185592680 @default.
- W2011213349 hasConcept C192562407 @default.
- W2011213349 hasConcept C2777691172 @default.
- W2011213349 hasConcept C2779484182 @default.
- W2011213349 hasConcept C2780026712 @default.
- W2011213349 hasConcept C32909587 @default.
- W2011213349 hasConcept C33790079 @default.
- W2011213349 hasConcept C41008148 @default.
- W2011213349 hasConcept C544153396 @default.
- W2011213349 hasConcept C58312451 @default.
- W2011213349 hasConcept C75473681 @default.
- W2011213349 hasConceptScore W2011213349C147789679 @default.
- W2011213349 hasConceptScore W2011213349C149635348 @default.
- W2011213349 hasConceptScore W2011213349C150394285 @default.
- W2011213349 hasConceptScore W2011213349C161790260 @default.
- W2011213349 hasConceptScore W2011213349C178790620 @default.
- W2011213349 hasConceptScore W2011213349C179104552 @default.
- W2011213349 hasConceptScore W2011213349C185592680 @default.
- W2011213349 hasConceptScore W2011213349C192562407 @default.
- W2011213349 hasConceptScore W2011213349C2777691172 @default.
- W2011213349 hasConceptScore W2011213349C2779484182 @default.
- W2011213349 hasConceptScore W2011213349C2780026712 @default.
- W2011213349 hasConceptScore W2011213349C32909587 @default.
- W2011213349 hasConceptScore W2011213349C33790079 @default.
- W2011213349 hasConceptScore W2011213349C41008148 @default.
- W2011213349 hasConceptScore W2011213349C544153396 @default.
- W2011213349 hasConceptScore W2011213349C58312451 @default.
- W2011213349 hasConceptScore W2011213349C75473681 @default.
- W2011213349 hasIssue "1-2" @default.
- W2011213349 hasLocation W20112133491 @default.
- W2011213349 hasOpenAccess W2011213349 @default.
- W2011213349 hasPrimaryLocation W20112133491 @default.
- W2011213349 hasRelatedWork W1991815586 @default.
- W2011213349 hasRelatedWork W2004890661 @default.
- W2011213349 hasRelatedWork W2012165581 @default.
- W2011213349 hasRelatedWork W2019850790 @default.
- W2011213349 hasRelatedWork W2029041425 @default.
- W2011213349 hasRelatedWork W2043015059 @default.
- W2011213349 hasRelatedWork W2049473689 @default.
- W2011213349 hasRelatedWork W2085546634 @default.
- W2011213349 hasRelatedWork W2358093619 @default.
- W2011213349 hasRelatedWork W2391783161 @default.
- W2011213349 hasVolume "301" @default.
- W2011213349 isParatext "false" @default.
- W2011213349 isRetracted "false" @default.
- W2011213349 magId "2011213349" @default.
- W2011213349 workType "article" @default.