Matches in SemOpenAlex for { <https://semopenalex.org/work/W2022203314> ?p ?o ?g. }
Showing items 1 to 99 of
99
with 100 items per page.
- W2022203314 abstract "Using first-principles density-functional calculations, we investigate the adsorption structures of phenylamine, ${text{NH}}_{2}({text{C}}_{6}{text{H}}_{5})$, on the Si(001) surface. We find that the N atom initially bonds to the down Si atom of the buckled dimer and subsequently, adsorbed ${text{NH}}_{2}({text{C}}_{6}{text{H}}_{5})$ dissociates into $text{NH}({text{C}}_{6}{text{H}}_{5})$ and H species. Unlike the case of ammonia where the buckling of Si dimers remains unchanged through ammonia dissociation, we find that the N-H dissociation in adsorbed phenylamine gives rise to the buckling switch of the neighboring Si dimers, thereby inducing a charge polarization in neighboring dimers such that the electrophilic (down-buckled) and nucleophilic (up-buckled) sides are oriented adjacent to the $text{Si-NH}({text{C}}_{6}{text{H}}_{5})$ and Si-H moieties, respectively. This adsorbate-induced buckling switch in dissociated phenylamine is caused by a greater electronegativity of the phenyl group compared to the H atom in dissociated ammonia." @default.
- W2022203314 created "2016-06-24" @default.
- W2022203314 creator A5049831856 @default.
- W2022203314 creator A5066805194 @default.
- W2022203314 date "2009-07-27" @default.
- W2022203314 modified "2023-09-24" @default.
- W2022203314 title "Adsorbate-induced buckling switch of Si dimers in dissociated phenylamine on Si(001)" @default.
- W2022203314 cites W1922571095 @default.
- W2022203314 cites W1955264922 @default.
- W2022203314 cites W1965064555 @default.
- W2022203314 cites W1965604258 @default.
- W2022203314 cites W1967002129 @default.
- W2022203314 cites W1975696604 @default.
- W2022203314 cites W1981235004 @default.
- W2022203314 cites W1981368803 @default.
- W2022203314 cites W1985091781 @default.
- W2022203314 cites W1995658935 @default.
- W2022203314 cites W1996450456 @default.
- W2022203314 cites W2013672567 @default.
- W2022203314 cites W2014478770 @default.
- W2022203314 cites W2020983705 @default.
- W2022203314 cites W2030976617 @default.
- W2022203314 cites W2039626632 @default.
- W2022203314 cites W2045240633 @default.
- W2022203314 cites W2045596260 @default.
- W2022203314 cites W2047371983 @default.
- W2022203314 cites W2053688162 @default.
- W2022203314 cites W2064982066 @default.
- W2022203314 cites W2079077680 @default.
- W2022203314 cites W2087585288 @default.
- W2022203314 cites W2150048070 @default.
- W2022203314 cites W2230728100 @default.
- W2022203314 cites W2373365426 @default.
- W2022203314 cites W2937427765 @default.
- W2022203314 doi "https://doi.org/10.1103/physrevb.80.033305" @default.
- W2022203314 hasPublicationYear "2009" @default.
- W2022203314 type Work @default.
- W2022203314 sameAs 2022203314 @default.
- W2022203314 citedByCount "0" @default.
- W2022203314 crossrefType "journal-article" @default.
- W2022203314 hasAuthorship W2022203314A5049831856 @default.
- W2022203314 hasAuthorship W2022203314A5066805194 @default.
- W2022203314 hasConcept C102931765 @default.
- W2022203314 hasConcept C121332964 @default.
- W2022203314 hasConcept C147789679 @default.
- W2022203314 hasConcept C149635348 @default.
- W2022203314 hasConcept C150394285 @default.
- W2022203314 hasConcept C161790260 @default.
- W2022203314 hasConcept C177293861 @default.
- W2022203314 hasConcept C178790620 @default.
- W2022203314 hasConcept C178907741 @default.
- W2022203314 hasConcept C184779094 @default.
- W2022203314 hasConcept C185592680 @default.
- W2022203314 hasConcept C192562407 @default.
- W2022203314 hasConcept C2779546866 @default.
- W2022203314 hasConcept C41008148 @default.
- W2022203314 hasConcept C46141821 @default.
- W2022203314 hasConcept C50027330 @default.
- W2022203314 hasConcept C55493867 @default.
- W2022203314 hasConcept C58312451 @default.
- W2022203314 hasConcept C8010536 @default.
- W2022203314 hasConceptScore W2022203314C102931765 @default.
- W2022203314 hasConceptScore W2022203314C121332964 @default.
- W2022203314 hasConceptScore W2022203314C147789679 @default.
- W2022203314 hasConceptScore W2022203314C149635348 @default.
- W2022203314 hasConceptScore W2022203314C150394285 @default.
- W2022203314 hasConceptScore W2022203314C161790260 @default.
- W2022203314 hasConceptScore W2022203314C177293861 @default.
- W2022203314 hasConceptScore W2022203314C178790620 @default.
- W2022203314 hasConceptScore W2022203314C178907741 @default.
- W2022203314 hasConceptScore W2022203314C184779094 @default.
- W2022203314 hasConceptScore W2022203314C185592680 @default.
- W2022203314 hasConceptScore W2022203314C192562407 @default.
- W2022203314 hasConceptScore W2022203314C2779546866 @default.
- W2022203314 hasConceptScore W2022203314C41008148 @default.
- W2022203314 hasConceptScore W2022203314C46141821 @default.
- W2022203314 hasConceptScore W2022203314C50027330 @default.
- W2022203314 hasConceptScore W2022203314C55493867 @default.
- W2022203314 hasConceptScore W2022203314C58312451 @default.
- W2022203314 hasConceptScore W2022203314C8010536 @default.
- W2022203314 hasIssue "3" @default.
- W2022203314 hasLocation W20222033141 @default.
- W2022203314 hasOpenAccess W2022203314 @default.
- W2022203314 hasPrimaryLocation W20222033141 @default.
- W2022203314 hasRelatedWork W1985925430 @default.
- W2022203314 hasRelatedWork W1997522274 @default.
- W2022203314 hasRelatedWork W2002451081 @default.
- W2022203314 hasRelatedWork W2321753844 @default.
- W2022203314 hasRelatedWork W2346893076 @default.
- W2022203314 hasRelatedWork W2949683147 @default.
- W2022203314 hasRelatedWork W2952798055 @default.
- W2022203314 hasRelatedWork W3200426255 @default.
- W2022203314 hasRelatedWork W3209037423 @default.
- W2022203314 hasRelatedWork W2170660996 @default.
- W2022203314 hasVolume "80" @default.
- W2022203314 isParatext "false" @default.
- W2022203314 isRetracted "false" @default.
- W2022203314 magId "2022203314" @default.
- W2022203314 workType "article" @default.