Matches in SemOpenAlex for { <https://semopenalex.org/work/W2155011754> ?p ?o ?g. }
- W2155011754 endingPage "3811" @default.
- W2155011754 startingPage "3811" @default.
- W2155011754 abstract "The structures, binding energies, and electronic properties of one oxygen atom (O) and two oxygen atoms (2O) adsorption on silicon clusters Sin with n ranging from 5 to 10 are studied systematically by ab initio calculations. Twelve stable structures are obtained, two of which are in agreement with those reported in previous literature and the others are new structures that have not been proposed before. Further investigations on the fragmentations of SinO and SinO2 (n = 5–10) clusters indicate that the pathways SinO → Sin−1 + SiO and SinO2 → Sin−2 + Si2O2 are most favorable from thermodynamic viewpoint. Among the studied silicon oxide clusters, Si8O, Si9O, Si5O2 and Si8O2 correspond to large adsorption energies of silicon clusters with respect to O or 2O, while Si8O, with the smallest dissociation energy, has a tendency to separate into Si7 + SiO. Using the recently developed quasi-atomic minimal-basis-orbital method, we have also calculated the unsaturated valences of the neutral Sin clusters. Our calculation results show that the Si atoms which have the largest unsaturated valences are more attractive to O atom. Placing O atom right around the Si atoms with the largest unsaturated valences usually leads to stable structures of the silicon oxide clusters." @default.
- W2155011754 created "2016-06-24" @default.
- W2155011754 creator A5007921227 @default.
- W2155011754 creator A5029590588 @default.
- W2155011754 creator A5046175815 @default.
- W2155011754 creator A5063270642 @default.
- W2155011754 creator A5069234338 @default.
- W2155011754 date "2005-01-01" @default.
- W2155011754 modified "2023-10-02" @default.
- W2155011754 title "Structure and stability of oxygen adsorption on Sin(n= 5–10) clusters" @default.
- W2155011754 cites W1493807228 @default.
- W2155011754 cites W1494761193 @default.
- W2155011754 cites W1503112454 @default.
- W2155011754 cites W1965189031 @default.
- W2155011754 cites W1970268093 @default.
- W2155011754 cites W1971094535 @default.
- W2155011754 cites W1974667766 @default.
- W2155011754 cites W1989678421 @default.
- W2155011754 cites W1993521064 @default.
- W2155011754 cites W1996651059 @default.
- W2155011754 cites W2000872531 @default.
- W2155011754 cites W2006737396 @default.
- W2155011754 cites W2008627373 @default.
- W2155011754 cites W2008962765 @default.
- W2155011754 cites W2011354211 @default.
- W2155011754 cites W2012263574 @default.
- W2155011754 cites W2014289852 @default.
- W2155011754 cites W2017618268 @default.
- W2155011754 cites W2019034990 @default.
- W2155011754 cites W2021243807 @default.
- W2155011754 cites W2036438952 @default.
- W2155011754 cites W2042168987 @default.
- W2155011754 cites W2043779873 @default.
- W2155011754 cites W2046325281 @default.
- W2155011754 cites W2050982662 @default.
- W2155011754 cites W2060753305 @default.
- W2155011754 cites W2062043552 @default.
- W2155011754 cites W2063454055 @default.
- W2155011754 cites W2067067630 @default.
- W2155011754 cites W2067562120 @default.
- W2155011754 cites W2069286474 @default.
- W2155011754 cites W2086418494 @default.
- W2155011754 cites W2089444231 @default.
- W2155011754 cites W2094642658 @default.
- W2155011754 cites W2095190227 @default.
- W2155011754 cites W2147175142 @default.
- W2155011754 cites W274909007 @default.
- W2155011754 cites W2950270886 @default.
- W2155011754 cites W3020967076 @default.
- W2155011754 doi "https://doi.org/10.1039/b509813k" @default.
- W2155011754 hasPubMedId "https://pubmed.ncbi.nlm.nih.gov/16358030" @default.
- W2155011754 hasPublicationYear "2005" @default.
- W2155011754 type Work @default.
- W2155011754 sameAs 2155011754 @default.
- W2155011754 citedByCount "7" @default.
- W2155011754 countsByYear W21550117542013 @default.
- W2155011754 countsByYear W21550117542023 @default.
- W2155011754 crossrefType "journal-article" @default.
- W2155011754 hasAuthorship W2155011754A5007921227 @default.
- W2155011754 hasAuthorship W2155011754A5029590588 @default.
- W2155011754 hasAuthorship W2155011754A5046175815 @default.
- W2155011754 hasAuthorship W2155011754A5063270642 @default.
- W2155011754 hasAuthorship W2155011754A5069234338 @default.
- W2155011754 hasConcept C102931765 @default.
- W2155011754 hasConcept C121332964 @default.
- W2155011754 hasConcept C147789679 @default.
- W2155011754 hasConcept C149635348 @default.
- W2155011754 hasConcept C150394285 @default.
- W2155011754 hasConcept C164866538 @default.
- W2155011754 hasConcept C168900304 @default.
- W2155011754 hasConcept C178790620 @default.
- W2155011754 hasConcept C183971685 @default.
- W2155011754 hasConcept C184779094 @default.
- W2155011754 hasConcept C185592680 @default.
- W2155011754 hasConcept C199360897 @default.
- W2155011754 hasConcept C2777431650 @default.
- W2155011754 hasConcept C2779105228 @default.
- W2155011754 hasConcept C2779851234 @default.
- W2155011754 hasConcept C2781442258 @default.
- W2155011754 hasConcept C2994492776 @default.
- W2155011754 hasConcept C32909587 @default.
- W2155011754 hasConcept C41008148 @default.
- W2155011754 hasConcept C540031477 @default.
- W2155011754 hasConcept C544956773 @default.
- W2155011754 hasConcept C58312451 @default.
- W2155011754 hasConcept C8010536 @default.
- W2155011754 hasConcept C93282013 @default.
- W2155011754 hasConceptScore W2155011754C102931765 @default.
- W2155011754 hasConceptScore W2155011754C121332964 @default.
- W2155011754 hasConceptScore W2155011754C147789679 @default.
- W2155011754 hasConceptScore W2155011754C149635348 @default.
- W2155011754 hasConceptScore W2155011754C150394285 @default.
- W2155011754 hasConceptScore W2155011754C164866538 @default.
- W2155011754 hasConceptScore W2155011754C168900304 @default.
- W2155011754 hasConceptScore W2155011754C178790620 @default.
- W2155011754 hasConceptScore W2155011754C183971685 @default.
- W2155011754 hasConceptScore W2155011754C184779094 @default.
- W2155011754 hasConceptScore W2155011754C185592680 @default.