FRINK Linked Data Fragments server

Matches in SemOpenAlex for { <https://semopenalex.org/work/W2896032468> ?p ?o ?g. }

• W2896032468 endingPage "37" @default.
• W2896032468 startingPage "31" @default.
• W2896032468 abstract "In CoCu-based Fischer-Tropsch catalysis, the as-prepared nanoparticles, if allowed to self-assemble, exhibit a [email protected] core-shell morphology that would render the catalyst inactive for CO hydrogenation. Therefore, a chemical reconstruction has to occur to create the catalytically active phase. While some of the thermodynamically-imposed driving forces for reconstruction have been identified and kinetic mechanisms experimentally probed, a thorough theoretical understanding on the molecular events has yet to be developed. Here, we employ a first-principles statistical mechanics approach to show that the reconstruction of CoCu in CO atmospheres is likely accomplished via subcarbonyl (multiple bonded CO) formation at the step and kink sites of CoCu catalysts. We find that the CO-induced antisegregation of subsurface Co atoms to step sites and the subsequent rupturing of Co subcarbonyls from these sites is thermodynamically feasible under experimentally-relevant CO pressures and temperatures. The results suggest that Co tricarbonyl formation along with its rupturing and diffusion onto the terraces is responsible for reconstruction. These Co tricarbonyls are shown to favorably dimerize, suggesting a potential route for nanoisland formation and morphological changes. Our results illustrate a strong correlation to surface carbonyl and inorganic complex chemistry of Co metal." @default.
• W2896032468 created "2018-10-26" @default.
• W2896032468 creator A5047580035 @default.
• W2896032468 creator A5074645932 @default.
• W2896032468 creator A5086182570 @default.
• W2896032468 date "2018-12-01" @default.
• W2896032468 modified "2023-09-25" @default.
• W2896032468 title "Dissolution of CoCu catalyst step defects by Co subcarbonyl formation" @default.
• W2896032468 cites W139304450 @default.
• W2896032468 cites W1526701675 @default.
• W2896032468 cites W1810256789 @default.
• W2896032468 cites W1964029633 @default.
• W2896032468 cites W1971844372 @default.
• W2896032468 cites W1974436039 @default.
• W2896032468 cites W1988875862 @default.
• W2896032468 cites W1989380795 @default.
• W2896032468 cites W1992120349 @default.
• W2896032468 cites W1997533941 @default.
• W2896032468 cites W2003982588 @default.
• W2896032468 cites W2004541384 @default.
• W2896032468 cites W2005839737 @default.
• W2896032468 cites W2008465063 @default.
• W2896032468 cites W2008897144 @default.
• W2896032468 cites W2009968232 @default.
• W2896032468 cites W2011937752 @default.
• W2896032468 cites W2020625915 @default.
• W2896032468 cites W2023223415 @default.
• W2896032468 cites W2031305603 @default.
• W2896032468 cites W2032355868 @default.
• W2896032468 cites W2035266089 @default.
• W2896032468 cites W2037200865 @default.
• W2896032468 cites W2040438840 @default.
• W2896032468 cites W2045310759 @default.
• W2896032468 cites W2045956902 @default.
• W2896032468 cites W2048727040 @default.
• W2896032468 cites W2049396016 @default.
• W2896032468 cites W2053242780 @default.
• W2896032468 cites W2053258379 @default.
• W2896032468 cites W2054592727 @default.
• W2896032468 cites W2061019636 @default.
• W2896032468 cites W2067821940 @default.
• W2896032468 cites W2068753038 @default.
• W2896032468 cites W2070383464 @default.
• W2896032468 cites W2072887794 @default.
• W2896032468 cites W2084805081 @default.
• W2896032468 cites W2093173476 @default.
• W2896032468 cites W2111217619 @default.
• W2896032468 cites W2125312553 @default.
• W2896032468 cites W2145388247 @default.
• W2896032468 cites W2158662116 @default.
• W2896032468 cites W2170446665 @default.
• W2896032468 cites W2296053392 @default.
• W2896032468 cites W2322177900 @default.
• W2896032468 cites W2327416866 @default.
• W2896032468 cites W2331370730 @default.
• W2896032468 cites W2332850857 @default.
• W2896032468 cites W2333714774 @default.
• W2896032468 cites W2378559863 @default.
• W2896032468 cites W2495999341 @default.
• W2896032468 cites W2563232450 @default.
• W2896032468 cites W2951741611 @default.
• W2896032468 cites W778656347 @default.
• W2896032468 doi "https://doi.org/10.1016/j.jcat.2018.08.011" @default.
• W2896032468 hasPublicationYear "2018" @default.
• W2896032468 type Work @default.
• W2896032468 sameAs 2896032468 @default.
• W2896032468 citedByCount "11" @default.
• W2896032468 countsByYear W28960324682019 @default.
• W2896032468 countsByYear W28960324682020 @default.
• W2896032468 countsByYear W28960324682021 @default.
• W2896032468 countsByYear W28960324682023 @default.
• W2896032468 crossrefType "journal-article" @default.
• W2896032468 hasAuthorship W2896032468A5047580035 @default.
• W2896032468 hasAuthorship W2896032468A5074645932 @default.
• W2896032468 hasAuthorship W2896032468A5086182570 @default.
• W2896032468 hasBestOaLocation W28960324681 @default.
• W2896032468 hasConcept C121332964 @default.
• W2896032468 hasConcept C127413603 @default.
• W2896032468 hasConcept C135889238 @default.
• W2896032468 hasConcept C147789679 @default.
• W2896032468 hasConcept C148898269 @default.
• W2896032468 hasConcept C155672457 @default.
• W2896032468 hasConcept C159467904 @default.
• W2896032468 hasConcept C161790260 @default.
• W2896032468 hasConcept C171250308 @default.
• W2896032468 hasConcept C175583648 @default.
• W2896032468 hasConcept C178790620 @default.
• W2896032468 hasConcept C185592680 @default.
• W2896032468 hasConcept C192562407 @default.
• W2896032468 hasConcept C42360764 @default.
• W2896032468 hasConcept C44280652 @default.
• W2896032468 hasConcept C512735826 @default.
• W2896032468 hasConcept C62520636 @default.
• W2896032468 hasConcept C69357855 @default.
• W2896032468 hasConcept C8010536 @default.
• W2896032468 hasConcept C88380143 @default.
• W2896032468 hasConcept C97355855 @default.
• W2896032468 hasConceptScore W2896032468C121332964 @default.

• next