FRINK Linked Data Fragments server

Matches in SemOpenAlex for { <https://semopenalex.org/work/W2090971654> ?p ?o ?g. }

• W2090971654 endingPage "249" @default.
• W2090971654 startingPage "233" @default.
• W2090971654 abstract "This paper demonstrates that the Laplacian of the electron density, the quantity ∇2ϱ(r), can be used to determine the conditions required for activation of a surface atom and thus guides one in determining surface adsorption sites. It also predicts the geometry of approach of the substrate relative to the surface site and whether the interaction will correspond to physi- or chemisorption. The topology of the electron density and its Laplacian distribution for bulk MgO, its (100), (110) and (140) surfaces, as well as of embedded clusters that model these and other structural features of the surface, are studied to determine the conditions required for chemisorption of carbon monoxide. The unreactive nature of five-coordinated oxygen in the (100) surface is retained when its coordination is decreased to four in a step or to three in a corner. It is shown that electronic excitation can activate a surface oxygen atom towards reaction with a Lewis base through the creation of a “hole” in its valence shell of charge concentration, as defined by the topology of the Laplacian distribution. The results determine the site responsible for the formation of the CO−2 radical anion on the surface of thermally activated MgO in the presence of CO gas. It also shown how a neighbouring activated oxygen atom in a stepped surface can lead to the formation of carbonate ion." @default.
• W2090971654 created "2016-06-24" @default.
• W2090971654 creator A5046456915 @default.
• W2090971654 creator A5076819554 @default.
• W2090971654 date "1996-05-01" @default.
• W2090971654 modified "2023-10-11" @default.
• W2090971654 title "Requirements for activation of surface oxygen atoms in MgO using the Laplacian of the electron density" @default.
• W2090971654 cites W1970097496 @default.
• W2090971654 cites W1977748709 @default.
• W2090971654 cites W1980444815 @default.
• W2090971654 cites W1981285913 @default.
• W2090971654 cites W1990626139 @default.
• W2090971654 cites W1995277666 @default.
• W2090971654 cites W2001454191 @default.
• W2090971654 cites W2002118151 @default.
• W2090971654 cites W2006947798 @default.
• W2090971654 cites W2008688711 @default.
• W2090971654 cites W2009485307 @default.
• W2090971654 cites W2012438843 @default.
• W2090971654 cites W2013174414 @default.
• W2090971654 cites W2015865196 @default.
• W2090971654 cites W2020522692 @default.
• W2090971654 cites W2024276519 @default.
• W2090971654 cites W2031175327 @default.
• W2090971654 cites W2033353724 @default.
• W2090971654 cites W2037159011 @default.
• W2090971654 cites W2038318663 @default.
• W2090971654 cites W2042155693 @default.
• W2090971654 cites W2052150308 @default.
• W2090971654 cites W2057477172 @default.
• W2090971654 cites W2070091923 @default.
• W2090971654 cites W2075762910 @default.
• W2090971654 cites W2079098861 @default.
• W2090971654 cites W2081453543 @default.
• W2090971654 cites W2081504104 @default.
• W2090971654 cites W2092578953 @default.
• W2090971654 cites W2093679494 @default.
• W2090971654 cites W2119369007 @default.
• W2090971654 cites W2124833563 @default.
• W2090971654 cites W2135262529 @default.
• W2090971654 cites W2144040446 @default.
• W2090971654 cites W4232081282 @default.
• W2090971654 cites W69372396 @default.
• W2090971654 doi "https://doi.org/10.1016/0039-6028(95)01352-0" @default.
• W2090971654 hasPublicationYear "1996" @default.
• W2090971654 type Work @default.
• W2090971654 sameAs 2090971654 @default.
• W2090971654 citedByCount "36" @default.
• W2090971654 countsByYear W20909716542014 @default.
• W2090971654 crossrefType "journal-article" @default.
• W2090971654 hasAuthorship W2090971654A5046456915 @default.
• W2090971654 hasAuthorship W2090971654A5076819554 @default.
• W2090971654 hasConcept C114614502 @default.
• W2090971654 hasConcept C121332964 @default.
• W2090971654 hasConcept C145148216 @default.
• W2090971654 hasConcept C147120987 @default.
• W2090971654 hasConcept C147789679 @default.
• W2090971654 hasConcept C149635348 @default.
• W2090971654 hasConcept C150394285 @default.
• W2090971654 hasConcept C150708132 @default.
• W2090971654 hasConcept C159467904 @default.
• W2090971654 hasConcept C161790260 @default.
• W2090971654 hasConcept C165700671 @default.
• W2090971654 hasConcept C168900304 @default.
• W2090971654 hasConcept C178790620 @default.
• W2090971654 hasConcept C179104552 @default.
• W2090971654 hasConcept C184720557 @default.
• W2090971654 hasConcept C185592680 @default.
• W2090971654 hasConcept C33790079 @default.
• W2090971654 hasConcept C33923547 @default.
• W2090971654 hasConcept C38649801 @default.
• W2090971654 hasConcept C41008148 @default.
• W2090971654 hasConcept C512735826 @default.
• W2090971654 hasConcept C540031477 @default.
• W2090971654 hasConcept C55493867 @default.
• W2090971654 hasConcept C58312451 @default.
• W2090971654 hasConcept C62520636 @default.
• W2090971654 hasConceptScore W2090971654C114614502 @default.
• W2090971654 hasConceptScore W2090971654C121332964 @default.
• W2090971654 hasConceptScore W2090971654C145148216 @default.
• W2090971654 hasConceptScore W2090971654C147120987 @default.
• W2090971654 hasConceptScore W2090971654C147789679 @default.
• W2090971654 hasConceptScore W2090971654C149635348 @default.
• W2090971654 hasConceptScore W2090971654C150394285 @default.
• W2090971654 hasConceptScore W2090971654C150708132 @default.
• W2090971654 hasConceptScore W2090971654C159467904 @default.
• W2090971654 hasConceptScore W2090971654C161790260 @default.
• W2090971654 hasConceptScore W2090971654C165700671 @default.
• W2090971654 hasConceptScore W2090971654C168900304 @default.
• W2090971654 hasConceptScore W2090971654C178790620 @default.
• W2090971654 hasConceptScore W2090971654C179104552 @default.
• W2090971654 hasConceptScore W2090971654C184720557 @default.
• W2090971654 hasConceptScore W2090971654C185592680 @default.
• W2090971654 hasConceptScore W2090971654C33790079 @default.
• W2090971654 hasConceptScore W2090971654C33923547 @default.
• W2090971654 hasConceptScore W2090971654C38649801 @default.
• W2090971654 hasConceptScore W2090971654C41008148 @default.
• W2090971654 hasConceptScore W2090971654C512735826 @default.

• next