Matches in SemOpenAlex for { <https://semopenalex.org/work/W2075661146> ?p ?o ?g. }
- W2075661146 endingPage "1038" @default.
- W2075661146 startingPage "1038" @default.
- W2075661146 abstract "Using density functional theory (DFT), adsorption of O2 and co-adsorption of O2 and CCl4 on (ZnS)n clusters (n = 6, 7, 11, 12, 13, 15, 16, 17, 25, 26) and the mechanism of oxidative decomposition of CCl4 on a ZnS nanocluster were investigated. The decomposition of CCl4 without the ZnS cluster was also studied for comparison. The ZnS cluster achieved a significant catalytic effect during the oxidative decomposition of CCl4. It is found that CCl4 in gas phase undergoes a homolytic dissociation process with the activation by ZnS, reacting with O2 to produce a CCl3˙ radical and a ClOO˙ radical first. CO2 and Cl2 are identified as the final neutral reaction products, while COCl2, CO and Cl2O are produced as intermediates. The released energy of the total reaction, 149.83 kcal mol−1, is sufficient to afford the transition energy of the cataluminescence, based on which a novel and sensitive gas sensor for the determination of CCl4 could be constructed." @default.
- W2075661146 created "2016-06-24" @default.
- W2075661146 creator A5011156551 @default.
- W2075661146 creator A5038600621 @default.
- W2075661146 creator A5039449480 @default.
- W2075661146 creator A5048514142 @default.
- W2075661146 creator A5058327484 @default.
- W2075661146 creator A5067460558 @default.
- W2075661146 date "2014-01-01" @default.
- W2075661146 modified "2023-09-24" @default.
- W2075661146 title "Modelling of catalytically oxidative decomposition of carbon tetrachloride on a ZnS nanocluster using density functional theory" @default.
- W2075661146 cites W1753803998 @default.
- W2075661146 cites W1908096403 @default.
- W2075661146 cites W1964397941 @default.
- W2075661146 cites W1965752441 @default.
- W2075661146 cites W1966750682 @default.
- W2075661146 cites W1969069243 @default.
- W2075661146 cites W1976534768 @default.
- W2075661146 cites W1981368803 @default.
- W2075661146 cites W1984661721 @default.
- W2075661146 cites W2007185591 @default.
- W2075661146 cites W2013748316 @default.
- W2075661146 cites W2016135590 @default.
- W2075661146 cites W2020333257 @default.
- W2075661146 cites W2024613460 @default.
- W2075661146 cites W2028191591 @default.
- W2075661146 cites W2029846217 @default.
- W2075661146 cites W2031873156 @default.
- W2075661146 cites W2043147025 @default.
- W2075661146 cites W2047809366 @default.
- W2075661146 cites W2048120527 @default.
- W2075661146 cites W2057945924 @default.
- W2075661146 cites W2064764822 @default.
- W2075661146 cites W2069993516 @default.
- W2075661146 cites W2072861889 @default.
- W2075661146 cites W2082052569 @default.
- W2075661146 cites W2084002675 @default.
- W2075661146 cites W2084078459 @default.
- W2075661146 cites W2084662589 @default.
- W2075661146 cites W2084781518 @default.
- W2075661146 cites W2087605058 @default.
- W2075661146 cites W2097589835 @default.
- W2075661146 cites W2105528831 @default.
- W2075661146 cites W2109987813 @default.
- W2075661146 cites W2110285460 @default.
- W2075661146 cites W2114378216 @default.
- W2075661146 cites W2124188069 @default.
- W2075661146 cites W2161203986 @default.
- W2075661146 cites W2312611539 @default.
- W2075661146 cites W2324204985 @default.
- W2075661146 doi "https://doi.org/10.1039/c3cy00916e" @default.
- W2075661146 hasPublicationYear "2014" @default.
- W2075661146 type Work @default.
- W2075661146 sameAs 2075661146 @default.
- W2075661146 citedByCount "3" @default.
- W2075661146 countsByYear W20756611462015 @default.
- W2075661146 countsByYear W20756611462019 @default.
- W2075661146 countsByYear W20756611462021 @default.
- W2075661146 crossrefType "journal-article" @default.
- W2075661146 hasAuthorship W2075661146A5011156551 @default.
- W2075661146 hasAuthorship W2075661146A5038600621 @default.
- W2075661146 hasAuthorship W2075661146A5039449480 @default.
- W2075661146 hasAuthorship W2075661146A5048514142 @default.
- W2075661146 hasAuthorship W2075661146A5058327484 @default.
- W2075661146 hasAuthorship W2075661146A5067460558 @default.
- W2075661146 hasConcept C104779481 @default.
- W2075661146 hasConcept C124681953 @default.
- W2075661146 hasConcept C140205800 @default.
- W2075661146 hasConcept C147597530 @default.
- W2075661146 hasConcept C152365726 @default.
- W2075661146 hasConcept C159985019 @default.
- W2075661146 hasConcept C161790260 @default.
- W2075661146 hasConcept C178790620 @default.
- W2075661146 hasConcept C179104552 @default.
- W2075661146 hasConcept C185592680 @default.
- W2075661146 hasConcept C192562407 @default.
- W2075661146 hasConcept C2777359374 @default.
- W2075661146 hasConcept C55493867 @default.
- W2075661146 hasConcept C57600042 @default.
- W2075661146 hasConceptScore W2075661146C104779481 @default.
- W2075661146 hasConceptScore W2075661146C124681953 @default.
- W2075661146 hasConceptScore W2075661146C140205800 @default.
- W2075661146 hasConceptScore W2075661146C147597530 @default.
- W2075661146 hasConceptScore W2075661146C152365726 @default.
- W2075661146 hasConceptScore W2075661146C159985019 @default.
- W2075661146 hasConceptScore W2075661146C161790260 @default.
- W2075661146 hasConceptScore W2075661146C178790620 @default.
- W2075661146 hasConceptScore W2075661146C179104552 @default.
- W2075661146 hasConceptScore W2075661146C185592680 @default.
- W2075661146 hasConceptScore W2075661146C192562407 @default.
- W2075661146 hasConceptScore W2075661146C2777359374 @default.
- W2075661146 hasConceptScore W2075661146C55493867 @default.
- W2075661146 hasConceptScore W2075661146C57600042 @default.
- W2075661146 hasIssue "4" @default.
- W2075661146 hasLocation W20756611461 @default.
- W2075661146 hasOpenAccess W2075661146 @default.
- W2075661146 hasPrimaryLocation W20756611461 @default.
- W2075661146 hasRelatedWork W1972926625 @default.