Matches in SemOpenAlex for { <https://semopenalex.org/work/W2019967597> ?p ?o ?g. }
- W2019967597 endingPage "754" @default.
- W2019967597 startingPage "745" @default.
- W2019967597 abstract "We present results of ourab initio molecular dynamics simulations on the atomic and electronic structure of clusters of divalent metals, aluminum and antimony, which exhibit a range of bonding characteristics e.g. non-metal-metal transition, metallic and covalent respectively. Results of these studies have been used to develop icosahedral AI12X (X = C, Si and Ge) superatoms with 40 valence electrons which correspond to a filled electronic shell. It is found that the doping leads to a large gain in the binding energy as compared to Al13, suggesting this to be a novel way of developing species for cluster assembled materials. Further studies of adsorption of Li, Si and Cl atoms on Al7 and Al13 clusters show marked variation in the adsorption behaviour of clusters as a function of size and the adsorbate. Silicon reconstructs both the clusters and induces covalency in Al-Al bonds. We discuss the adsorption behaviour in terms of the superatom-atom interactions." @default.
- W2019967597 created "2016-06-24" @default.
- W2019967597 creator A5026321649 @default.
- W2019967597 date "1997-09-01" @default.
- W2019967597 modified "2023-09-25" @default.
- W2019967597 title "Ab initio molecular dynamics studies of metal clusters" @default.
- W2019967597 cites W1964519832 @default.
- W2019967597 cites W1967419968 @default.
- W2019967597 cites W1976587971 @default.
- W2019967597 cites W1977735518 @default.
- W2019967597 cites W1988628412 @default.
- W2019967597 cites W1990742576 @default.
- W2019967597 cites W1992753351 @default.
- W2019967597 cites W2003760769 @default.
- W2019967597 cites W2014430923 @default.
- W2019967597 cites W2016046624 @default.
- W2019967597 cites W2017453538 @default.
- W2019967597 cites W2037796650 @default.
- W2019967597 cites W2045054498 @default.
- W2019967597 cites W2046001409 @default.
- W2019967597 cites W2049904901 @default.
- W2019967597 cites W2050477621 @default.
- W2019967597 cites W2054440289 @default.
- W2019967597 cites W2055640329 @default.
- W2019967597 cites W2056319595 @default.
- W2019967597 cites W2060600384 @default.
- W2019967597 cites W2065575371 @default.
- W2019967597 cites W2067798838 @default.
- W2019967597 cites W2068440797 @default.
- W2019967597 cites W2074257209 @default.
- W2019967597 cites W2141167265 @default.
- W2019967597 cites W2951887908 @default.
- W2019967597 doi "https://doi.org/10.1007/bf02747415" @default.
- W2019967597 hasPublicationYear "1997" @default.
- W2019967597 type Work @default.
- W2019967597 sameAs 2019967597 @default.
- W2019967597 citedByCount "7" @default.
- W2019967597 countsByYear W20199675972020 @default.
- W2019967597 crossrefType "journal-article" @default.
- W2019967597 hasAuthorship W2019967597A5026321649 @default.
- W2019967597 hasBestOaLocation W20199675972 @default.
- W2019967597 hasConcept C113709186 @default.
- W2019967597 hasConcept C121332964 @default.
- W2019967597 hasConcept C147120987 @default.
- W2019967597 hasConcept C147597530 @default.
- W2019967597 hasConcept C147789679 @default.
- W2019967597 hasConcept C149635348 @default.
- W2019967597 hasConcept C150394285 @default.
- W2019967597 hasConcept C159467904 @default.
- W2019967597 hasConcept C164866538 @default.
- W2019967597 hasConcept C168900304 @default.
- W2019967597 hasConcept C171706072 @default.
- W2019967597 hasConcept C178790620 @default.
- W2019967597 hasConcept C180577832 @default.
- W2019967597 hasConcept C184779094 @default.
- W2019967597 hasConcept C185592680 @default.
- W2019967597 hasConcept C191897082 @default.
- W2019967597 hasConcept C192562407 @default.
- W2019967597 hasConcept C199360897 @default.
- W2019967597 hasConcept C2781442258 @default.
- W2019967597 hasConcept C38649801 @default.
- W2019967597 hasConcept C41008148 @default.
- W2019967597 hasConcept C49040817 @default.
- W2019967597 hasConcept C544153396 @default.
- W2019967597 hasConcept C57863236 @default.
- W2019967597 hasConcept C58312451 @default.
- W2019967597 hasConcept C59593255 @default.
- W2019967597 hasConcept C62520636 @default.
- W2019967597 hasConcept C8010536 @default.
- W2019967597 hasConcept C86025842 @default.
- W2019967597 hasConcept C93282013 @default.
- W2019967597 hasConceptScore W2019967597C113709186 @default.
- W2019967597 hasConceptScore W2019967597C121332964 @default.
- W2019967597 hasConceptScore W2019967597C147120987 @default.
- W2019967597 hasConceptScore W2019967597C147597530 @default.
- W2019967597 hasConceptScore W2019967597C147789679 @default.
- W2019967597 hasConceptScore W2019967597C149635348 @default.
- W2019967597 hasConceptScore W2019967597C150394285 @default.
- W2019967597 hasConceptScore W2019967597C159467904 @default.
- W2019967597 hasConceptScore W2019967597C164866538 @default.
- W2019967597 hasConceptScore W2019967597C168900304 @default.
- W2019967597 hasConceptScore W2019967597C171706072 @default.
- W2019967597 hasConceptScore W2019967597C178790620 @default.
- W2019967597 hasConceptScore W2019967597C180577832 @default.
- W2019967597 hasConceptScore W2019967597C184779094 @default.
- W2019967597 hasConceptScore W2019967597C185592680 @default.
- W2019967597 hasConceptScore W2019967597C191897082 @default.
- W2019967597 hasConceptScore W2019967597C192562407 @default.
- W2019967597 hasConceptScore W2019967597C199360897 @default.
- W2019967597 hasConceptScore W2019967597C2781442258 @default.
- W2019967597 hasConceptScore W2019967597C38649801 @default.
- W2019967597 hasConceptScore W2019967597C41008148 @default.
- W2019967597 hasConceptScore W2019967597C49040817 @default.
- W2019967597 hasConceptScore W2019967597C544153396 @default.
- W2019967597 hasConceptScore W2019967597C57863236 @default.
- W2019967597 hasConceptScore W2019967597C58312451 @default.
- W2019967597 hasConceptScore W2019967597C59593255 @default.
- W2019967597 hasConceptScore W2019967597C62520636 @default.