FRINK Linked Data Fragments server

Matches in SemOpenAlex for { <https://semopenalex.org/work/W2023667405> ?p ?o ?g. }

• W2023667405 endingPage "3604" @default.
• W2023667405 startingPage "3597" @default.
• W2023667405 abstract "Density functional theory (DFT) was used to study the adsorption of nitrogen monoxide (NO) on the armchair (4, 4), (5, 5), (6, 6), and (7, 7) carbon nanotubes. The effect of molecular orientation on the adsorption process was also studied. Both the external (two modes, N-down and O-down; NO molecular axis perpendicular to the C atoms of the nanotubes) and internal (one mode, NO molecular axis perpendicular to the z axis of a nanotube) adsorption orientations were studied. The adsorption energies, equilibrium distances, highest-occupied molecular orbital−lowest-unoccupied molecular orbital energy gap, and partial charges of the C atoms were also found. The global indices were calculated using the Kopmann's theorem. Computational results show that NO molecules are physisorbed on both sites (external and internal) of the nanotubes; for the O-down mode, the NO molecules were strongly physisorbed. Stability of tube−molecule for the adsorption of NO molecules on the outer wall of a nanotube decreases as the tube diameter increases. In contrast, NO penetration into a nanotube increases as the tube diameter increases. The results show that NO molecules cannot be adsorbed on the inner walls of the nanotubes with diameters lower than 5.38 Å. Finally, physisorption of the NO molecules via the oxygen head (the O-down mode) was stronger than the other adsorption mode." @default.
• W2023667405 created "2016-06-24" @default.
• W2023667405 creator A5044146897 @default.
• W2023667405 creator A5060847151 @default.
• W2023667405 creator A5076947791 @default.
• W2023667405 date "2008-02-19" @default.
• W2023667405 modified "2023-09-27" @default.
• W2023667405 title "Electronic Properties of Adsorption Nitrogen Monoxide on Inside and Outside of the Armchair Single Wall Carbon Nanotubes: A Density Functional Theory Calculations" @default.
• W2023667405 cites W1967208783 @default.
• W2023667405 cites W1968266528 @default.
• W2023667405 cites W1972038331 @default.
• W2023667405 cites W1980516378 @default.
• W2023667405 cites W2006558755 @default.
• W2023667405 cites W2008771485 @default.
• W2023667405 cites W2009392824 @default.
• W2023667405 cites W2009645599 @default.
• W2023667405 cites W2009737540 @default.
• W2023667405 cites W2017660525 @default.
• W2023667405 cites W2023212208 @default.
• W2023667405 cites W2036503595 @default.
• W2023667405 cites W2040461080 @default.
• W2023667405 cites W2044394227 @default.
• W2023667405 cites W2056116198 @default.
• W2023667405 cites W2067786542 @default.
• W2023667405 cites W2068559689 @default.
• W2023667405 cites W2072834950 @default.
• W2023667405 cites W2083754441 @default.
• W2023667405 cites W2086724310 @default.
• W2023667405 cites W2088707398 @default.
• W2023667405 cites W2089955968 @default.
• W2023667405 cites W2090690504 @default.
• W2023667405 cites W2123128601 @default.
• W2023667405 doi "https://doi.org/10.1021/jp709955g" @default.
• W2023667405 hasPublicationYear "2008" @default.
• W2023667405 type Work @default.
• W2023667405 sameAs 2023667405 @default.
• W2023667405 citedByCount "27" @default.
• W2023667405 countsByYear W20236674052012 @default.
• W2023667405 countsByYear W20236674052013 @default.
• W2023667405 countsByYear W20236674052014 @default.
• W2023667405 countsByYear W20236674052015 @default.
• W2023667405 countsByYear W20236674052016 @default.
• W2023667405 countsByYear W20236674052017 @default.
• W2023667405 countsByYear W20236674052018 @default.
• W2023667405 countsByYear W20236674052019 @default.
• W2023667405 countsByYear W20236674052020 @default.
• W2023667405 countsByYear W20236674052022 @default.
• W2023667405 crossrefType "journal-article" @default.
• W2023667405 hasAuthorship W2023667405A5044146897 @default.
• W2023667405 hasAuthorship W2023667405A5060847151 @default.
• W2023667405 hasAuthorship W2023667405A5076947791 @default.
• W2023667405 hasConcept C139358910 @default.
• W2023667405 hasConcept C147597530 @default.
• W2023667405 hasConcept C147789679 @default.
• W2023667405 hasConcept C150394285 @default.
• W2023667405 hasConcept C152365726 @default.
• W2023667405 hasConcept C159467904 @default.
• W2023667405 hasConcept C161790260 @default.
• W2023667405 hasConcept C171250308 @default.
• W2023667405 hasConcept C178790620 @default.
• W2023667405 hasConcept C185592680 @default.
• W2023667405 hasConcept C192562407 @default.
• W2023667405 hasConcept C2777619693 @default.
• W2023667405 hasConcept C2780050857 @default.
• W2023667405 hasConcept C32909587 @default.
• W2023667405 hasConcept C512735826 @default.
• W2023667405 hasConcept C513720949 @default.
• W2023667405 hasConceptScore W2023667405C139358910 @default.
• W2023667405 hasConceptScore W2023667405C147597530 @default.
• W2023667405 hasConceptScore W2023667405C147789679 @default.
• W2023667405 hasConceptScore W2023667405C150394285 @default.
• W2023667405 hasConceptScore W2023667405C152365726 @default.
• W2023667405 hasConceptScore W2023667405C159467904 @default.
• W2023667405 hasConceptScore W2023667405C161790260 @default.
• W2023667405 hasConceptScore W2023667405C171250308 @default.
• W2023667405 hasConceptScore W2023667405C178790620 @default.
• W2023667405 hasConceptScore W2023667405C185592680 @default.
• W2023667405 hasConceptScore W2023667405C192562407 @default.
• W2023667405 hasConceptScore W2023667405C2777619693 @default.
• W2023667405 hasConceptScore W2023667405C2780050857 @default.
• W2023667405 hasConceptScore W2023667405C32909587 @default.
• W2023667405 hasConceptScore W2023667405C512735826 @default.
• W2023667405 hasConceptScore W2023667405C513720949 @default.
• W2023667405 hasIssue "10" @default.
• W2023667405 hasLocation W20236674051 @default.
• W2023667405 hasOpenAccess W2023667405 @default.
• W2023667405 hasPrimaryLocation W20236674051 @default.
• W2023667405 hasRelatedWork W2001528446 @default.
• W2023667405 hasRelatedWork W2004517569 @default.
• W2023667405 hasRelatedWork W2047414268 @default.
• W2023667405 hasRelatedWork W2061130821 @default.
• W2023667405 hasRelatedWork W2093719657 @default.
• W2023667405 hasRelatedWork W2312309997 @default.
• W2023667405 hasRelatedWork W2618963118 @default.
• W2023667405 hasRelatedWork W3160081720 @default.
• W2023667405 hasRelatedWork W4303968791 @default.
• W2023667405 hasRelatedWork W4311032387 @default.
• W2023667405 hasVolume "112" @default.

• next