FRINK Linked Data Fragments server

Matches in SemOpenAlex for { <https://semopenalex.org/work/W2087020014> ?p ?o ?g. }

• W2087020014 endingPage "3399" @default.
• W2087020014 startingPage "3389" @default.
• W2087020014 abstract "The adsorption of NO and NO 2 was studied on the ( 2 1 ¯ 1 ¯ 0 ) crystal face of zinc oxide (ZnO). Binding energies, workfunction changes, vibrational frequencies, electron localisation functions, charge density differences and Bader charges were calculated. More than one stable structure was found for both molecules on this surface and it was elucidated that adsorbed NO was more stable than NO 2 . The relatively small binding energy values indicate that the interaction of NO and NO 2 with the surface is weak and was found to cause minimal distortion to the surface geometry. The most stable configurations of NO were those with the nitrogen atom of the adsorbate interacting with surface oxygen and zinc atoms. Similarly, stable NO 2 configurations were hallmarked by interactions between the adsorbate oxygen atoms and surface zinc atoms. The calculated workfunction changes were negative for all NO systems, and most NO 2 systems. Positive workfunction changes were calculated for geometries where the nitrogen atom of the NO 2 adsorbate was positioned closer to the surface than the oxygen atoms which were both pointing away from the surface. The Bader charges and charge density differences indicate that the interaction between the adsorbate molecule and the respective surface atoms is weak. Despite showing a weak interaction, there is still a calculated transfer of charge from the surface to the adsorbate for the most stable NO 2 and NO structures. Even though this transfer of charge is opposite to what is predicted by some of the calculated negative work function changes, small features in the planar averaged charge density differences may explain this discrepancy." @default.
• W2087020014 created "2016-06-24" @default.
• W2087020014 creator A5063020733 @default.
• W2087020014 creator A5067629401 @default.
• W2087020014 creator A5076418865 @default.
• W2087020014 date "2009-12-01" @default.
• W2087020014 modified "2023-09-26" @default.
• W2087020014 title "Adsorption of NO and NO2 on the ZnO() surface: A DFT study" @default.
• W2087020014 cites W1569847820 @default.
• W2087020014 cites W1967390835 @default.
• W2087020014 cites W1968426044 @default.
• W2087020014 cites W1977204042 @default.
• W2087020014 cites W1983870804 @default.
• W2087020014 cites W1986806609 @default.
• W2087020014 cites W1990047773 @default.
• W2087020014 cites W1992207156 @default.
• W2087020014 cites W1995318944 @default.
• W2087020014 cites W1997803070 @default.
• W2087020014 cites W1997881844 @default.
• W2087020014 cites W2004009562 @default.
• W2087020014 cites W2007395042 @default.
• W2087020014 cites W2010282859 @default.
• W2087020014 cites W2022085321 @default.
• W2087020014 cites W2035291692 @default.
• W2087020014 cites W2036113194 @default.
• W2087020014 cites W2036942710 @default.
• W2087020014 cites W2041668773 @default.
• W2087020014 cites W2044424386 @default.
• W2087020014 cites W2049079467 @default.
• W2087020014 cites W2058407064 @default.
• W2087020014 cites W2060533155 @default.
• W2087020014 cites W2061524701 @default.
• W2087020014 cites W2067886740 @default.
• W2087020014 cites W2072134476 @default.
• W2087020014 cites W2076456732 @default.
• W2087020014 cites W2080547554 @default.
• W2087020014 cites W2083222334 @default.
• W2087020014 cites W2085467316 @default.
• W2087020014 cites W2087585288 @default.
• W2087020014 cites W2106788069 @default.
• W2087020014 cites W2147098196 @default.
• W2087020014 cites W2148411231 @default.
• W2087020014 cites W2230728100 @default.
• W2087020014 cites W2917482096 @default.
• W2087020014 doi "https://doi.org/10.1016/j.susc.2009.09.032" @default.
• W2087020014 hasPublicationYear "2009" @default.
• W2087020014 type Work @default.
• W2087020014 sameAs 2087020014 @default.
• W2087020014 citedByCount "48" @default.
• W2087020014 countsByYear W20870200142012 @default.
• W2087020014 countsByYear W20870200142013 @default.
• W2087020014 countsByYear W20870200142014 @default.
• W2087020014 countsByYear W20870200142015 @default.
• W2087020014 countsByYear W20870200142016 @default.
• W2087020014 countsByYear W20870200142017 @default.
• W2087020014 countsByYear W20870200142018 @default.
• W2087020014 countsByYear W20870200142019 @default.
• W2087020014 countsByYear W20870200142020 @default.
• W2087020014 countsByYear W20870200142021 @default.
• W2087020014 countsByYear W20870200142022 @default.
• W2087020014 countsByYear W20870200142023 @default.
• W2087020014 crossrefType "journal-article" @default.
• W2087020014 hasAuthorship W2087020014A5063020733 @default.
• W2087020014 hasAuthorship W2087020014A5067629401 @default.
• W2087020014 hasAuthorship W2087020014A5076418865 @default.
• W2087020014 hasConcept C115235246 @default.
• W2087020014 hasConcept C121332964 @default.
• W2087020014 hasConcept C147597530 @default.
• W2087020014 hasConcept C147789679 @default.
• W2087020014 hasConcept C149635348 @default.
• W2087020014 hasConcept C150394285 @default.
• W2087020014 hasConcept C150708132 @default.
• W2087020014 hasConcept C152365726 @default.
• W2087020014 hasConcept C159467904 @default.
• W2087020014 hasConcept C17525397 @default.
• W2087020014 hasConcept C178790620 @default.
• W2087020014 hasConcept C184779094 @default.
• W2087020014 hasConcept C185592680 @default.
• W2087020014 hasConcept C32909587 @default.
• W2087020014 hasConcept C41008148 @default.
• W2087020014 hasConcept C535196362 @default.
• W2087020014 hasConcept C540031477 @default.
• W2087020014 hasConcept C58312451 @default.
• W2087020014 hasConcept C62520636 @default.
• W2087020014 hasConcept C63385615 @default.
• W2087020014 hasConcept C8010536 @default.
• W2087020014 hasConceptScore W2087020014C115235246 @default.
• W2087020014 hasConceptScore W2087020014C121332964 @default.
• W2087020014 hasConceptScore W2087020014C147597530 @default.
• W2087020014 hasConceptScore W2087020014C147789679 @default.
• W2087020014 hasConceptScore W2087020014C149635348 @default.
• W2087020014 hasConceptScore W2087020014C150394285 @default.
• W2087020014 hasConceptScore W2087020014C150708132 @default.
• W2087020014 hasConceptScore W2087020014C152365726 @default.
• W2087020014 hasConceptScore W2087020014C159467904 @default.
• W2087020014 hasConceptScore W2087020014C17525397 @default.
• W2087020014 hasConceptScore W2087020014C178790620 @default.
• W2087020014 hasConceptScore W2087020014C184779094 @default.

• next