Matches in SemOpenAlex for { <https://semopenalex.org/work/W1559987997> ?p ?o ?g. }
Showing items 1 to 95 of
95
with 100 items per page.
- W1559987997 endingPage "3050" @default.
- W1559987997 startingPage "3047" @default.
- W1559987997 abstract "We investigated the oxidation reaction of the O2 molecule at the Si(100)-SiO2 interface by using a constrained ab initio molecular dynamics approach. To represent the Si(100)-SiO2 interface, we adopted several model interfaces whose structural properties are consistent with atomic-scale information obtained from a variety of experimental probes. We addressed the oxidation reaction by sampling different reaction pathways of the O2 molecule at the interface. The reaction proceeds sequentially through the incorporation of the O2 molecule in a Si–Si bond and the dissociation of the resulting network O2-species. The oxidation reaction occurs nearly spontaneously and is exothermic, regardless of the spin state of the O2 molecule. Our study suggests a picture of the silicon oxidation process entirely based on diffusive processes." @default.
- W1559987997 created "2016-06-24" @default.
- W1559987997 creator A5032799390 @default.
- W1559987997 creator A5033544377 @default.
- W1559987997 date "2005-06-01" @default.
- W1559987997 modified "2023-10-16" @default.
- W1559987997 title "O2 oxidation reaction at the Si(100)-SiO2 interface: A first-principles investigation" @default.
- W1559987997 cites W1738704394 @default.
- W1559987997 cites W1859822882 @default.
- W1559987997 cites W1986076990 @default.
- W1559987997 cites W1987665772 @default.
- W1559987997 cites W1989502599 @default.
- W1559987997 cites W1990186048 @default.
- W1559987997 cites W2006327160 @default.
- W1559987997 cites W2014068089 @default.
- W1559987997 cites W2016638076 @default.
- W1559987997 cites W2029867833 @default.
- W1559987997 cites W2030957915 @default.
- W1559987997 cites W2043593174 @default.
- W1559987997 cites W2046001409 @default.
- W1559987997 cites W2054069827 @default.
- W1559987997 cites W2059869856 @default.
- W1559987997 cites W2087585288 @default.
- W1559987997 cites W2093914900 @default.
- W1559987997 cites W2108728128 @default.
- W1559987997 cites W2151996153 @default.
- W1559987997 cites W2161525319 @default.
- W1559987997 doi "https://doi.org/10.1007/s10853-005-2663-7" @default.
- W1559987997 hasPublicationYear "2005" @default.
- W1559987997 type Work @default.
- W1559987997 sameAs 1559987997 @default.
- W1559987997 citedByCount "11" @default.
- W1559987997 countsByYear W15599879972012 @default.
- W1559987997 countsByYear W15599879972013 @default.
- W1559987997 countsByYear W15599879972017 @default.
- W1559987997 countsByYear W15599879972019 @default.
- W1559987997 countsByYear W15599879972021 @default.
- W1559987997 countsByYear W15599879972023 @default.
- W1559987997 crossrefType "journal-article" @default.
- W1559987997 hasAuthorship W1559987997A5032799390 @default.
- W1559987997 hasAuthorship W1559987997A5033544377 @default.
- W1559987997 hasBestOaLocation W15599879972 @default.
- W1559987997 hasConcept C102931765 @default.
- W1559987997 hasConcept C121332964 @default.
- W1559987997 hasConcept C147789679 @default.
- W1559987997 hasConcept C159467904 @default.
- W1559987997 hasConcept C177801218 @default.
- W1559987997 hasConcept C178790620 @default.
- W1559987997 hasConcept C185592680 @default.
- W1559987997 hasConcept C191897082 @default.
- W1559987997 hasConcept C192562407 @default.
- W1559987997 hasConcept C2781442258 @default.
- W1559987997 hasConcept C32909587 @default.
- W1559987997 hasConcept C45119746 @default.
- W1559987997 hasConcept C544956773 @default.
- W1559987997 hasConcept C62520636 @default.
- W1559987997 hasConcept C66823137 @default.
- W1559987997 hasConceptScore W1559987997C102931765 @default.
- W1559987997 hasConceptScore W1559987997C121332964 @default.
- W1559987997 hasConceptScore W1559987997C147789679 @default.
- W1559987997 hasConceptScore W1559987997C159467904 @default.
- W1559987997 hasConceptScore W1559987997C177801218 @default.
- W1559987997 hasConceptScore W1559987997C178790620 @default.
- W1559987997 hasConceptScore W1559987997C185592680 @default.
- W1559987997 hasConceptScore W1559987997C191897082 @default.
- W1559987997 hasConceptScore W1559987997C192562407 @default.
- W1559987997 hasConceptScore W1559987997C2781442258 @default.
- W1559987997 hasConceptScore W1559987997C32909587 @default.
- W1559987997 hasConceptScore W1559987997C45119746 @default.
- W1559987997 hasConceptScore W1559987997C544956773 @default.
- W1559987997 hasConceptScore W1559987997C62520636 @default.
- W1559987997 hasConceptScore W1559987997C66823137 @default.
- W1559987997 hasIssue "12" @default.
- W1559987997 hasLocation W15599879971 @default.
- W1559987997 hasLocation W15599879972 @default.
- W1559987997 hasLocation W15599879973 @default.
- W1559987997 hasOpenAccess W1559987997 @default.
- W1559987997 hasPrimaryLocation W15599879971 @default.
- W1559987997 hasRelatedWork W1974027622 @default.
- W1559987997 hasRelatedWork W1982694558 @default.
- W1559987997 hasRelatedWork W1998429848 @default.
- W1559987997 hasRelatedWork W2048073700 @default.
- W1559987997 hasRelatedWork W2056114977 @default.
- W1559987997 hasRelatedWork W2123597361 @default.
- W1559987997 hasRelatedWork W2154469720 @default.
- W1559987997 hasRelatedWork W2332433774 @default.
- W1559987997 hasRelatedWork W2571402556 @default.
- W1559987997 hasRelatedWork W4247178722 @default.
- W1559987997 hasVolume "40" @default.
- W1559987997 isParatext "false" @default.
- W1559987997 isRetracted "false" @default.
- W1559987997 magId "1559987997" @default.
- W1559987997 workType "article" @default.