FRINK Linked Data Fragments server

Matches in SemOpenAlex for { <https://semopenalex.org/work/W2013409261> ?p ?o ?g. }

• W2013409261 endingPage "2155" @default.
• W2013409261 startingPage "2148" @default.
• W2013409261 abstract "The behaviors of the bimetal Mo−Mo doped cagelike silicon clusters Mo2Sin at the size of n = 9−16 have been investigated systematically with the density functional approach. The growth-pattern behaviors, relative stabilities, and charge-transfer of these clusters are presented and discussed. The optimized geometries reveal that the dominant growth patterns of the bimetal Mo−Mo doped on opened cagelike silicon clusters (n = 9−13) are based on pentagon prism MoSi10 and hexagonal prism MoSi12 clusters, while the Mo2 encapsulated Sin(n = 14−16) frames are dominant growth behaviors for the large-sized clusters. The doped Mo2 dimer in the Sin frames is dissociated under the interactions of the Mo2 and Sin frames which are examined in term of the calculated Mo−Mo distance. The calculated fragmentation energies manifest that the remarkable local maximums of stable clusters are Mo2-doped Sin with n = 10 and 12; the obtained relative stabilities exhibit that the Mo2-doped Si10 cluster is the most stable species in all different sized clusters. Natural population analysis shows that the charge-transfer phenomena appearing in the Mo2-doped Sin clusters are analogous to the single transition metal Re or W doped silicon clusters. In addition, the properties of frontier orbitals of Mo2-doped Sin (n = 10 and 12) clusters show that the Mo2Si10 and Mo2Si12 isomers have enhanced chemical stabilities because of their larger HOMO−LUMO gaps. Interestingly, the geometry of the most stable Mo2Si9 cluster has the framework which is analogous to that of Ni2Ge9 cluster confirmed by recent experimental observation (Goicoechea, J. M.; Sevov, S. C. J. Am Chem. Soc. 2006, 128, 4155)." @default.
• W2013409261 created "2016-06-24" @default.
• W2013409261 creator A5022689695 @default.
• W2013409261 creator A5026290034 @default.
• W2013409261 creator A5057327888 @default.
• W2013409261 date "2007-02-23" @default.
• W2013409261 modified "2023-09-23" @default.
• W2013409261 title "Geometries, Stabilities, and Growth Patterns of the Bimetal Mo₂-doped Si<i>_n</i> (<i>n</i> = 9−16) Clusters: A Density Functional Investigation" @default.
• W2013409261 cites W1556334824 @default.
• W2013409261 cites W1670532903 @default.
• W2013409261 cites W1965603563 @default.
• W2013409261 cites W1965986658 @default.
• W2013409261 cites W1967405342 @default.
• W2013409261 cites W1971246743 @default.
• W2013409261 cites W1983686821 @default.
• W2013409261 cites W2000903141 @default.
• W2013409261 cites W2007241818 @default.
• W2013409261 cites W2008569681 @default.
• W2013409261 cites W2022608915 @default.
• W2013409261 cites W2023271753 @default.
• W2013409261 cites W2025415785 @default.
• W2013409261 cites W2026967105 @default.
• W2013409261 cites W2028299411 @default.
• W2013409261 cites W2031760252 @default.
• W2013409261 cites W2041512102 @default.
• W2013409261 cites W2042057080 @default.
• W2013409261 cites W2042168987 @default.
• W2013409261 cites W2044490585 @default.
• W2013409261 cites W2045145985 @default.
• W2013409261 cites W2046325281 @default.
• W2013409261 cites W2050342340 @default.
• W2013409261 cites W2051424184 @default.
• W2013409261 cites W2054126133 @default.
• W2013409261 cites W2056838146 @default.
• W2013409261 cites W2057041215 @default.
• W2013409261 cites W2061003052 @default.
• W2013409261 cites W2062058582 @default.
• W2013409261 cites W2069542682 @default.
• W2013409261 cites W2073860633 @default.
• W2013409261 cites W2074441950 @default.
• W2013409261 cites W2075572073 @default.
• W2013409261 cites W2083961687 @default.
• W2013409261 cites W2086957099 @default.
• W2013409261 cites W2087512041 @default.
• W2013409261 cites W2128764349 @default.
• W2013409261 cites W2139270475 @default.
• W2013409261 cites W2159587373 @default.
• W2013409261 cites W2914233597 @default.
• W2013409261 cites W2949718367 @default.
• W2013409261 cites W4249031999 @default.
• W2013409261 cites W4252871741 @default.
• W2013409261 doi "https://doi.org/10.1021/jp0661903" @default.
• W2013409261 hasPubMedId "https://pubmed.ncbi.nlm.nih.gov/17388263" @default.
• W2013409261 hasPublicationYear "2007" @default.
• W2013409261 type Work @default.
• W2013409261 sameAs 2013409261 @default.
• W2013409261 citedByCount "68" @default.
• W2013409261 countsByYear W20134092612012 @default.
• W2013409261 countsByYear W20134092612013 @default.
• W2013409261 countsByYear W20134092612014 @default.
• W2013409261 countsByYear W20134092612015 @default.
• W2013409261 countsByYear W20134092612016 @default.
• W2013409261 countsByYear W20134092612017 @default.
• W2013409261 countsByYear W20134092612018 @default.
• W2013409261 countsByYear W20134092612019 @default.
• W2013409261 countsByYear W20134092612020 @default.
• W2013409261 countsByYear W20134092612021 @default.
• W2013409261 countsByYear W20134092612022 @default.
• W2013409261 countsByYear W20134092612023 @default.
• W2013409261 crossrefType "journal-article" @default.
• W2013409261 hasAuthorship W2013409261A5022689695 @default.
• W2013409261 hasAuthorship W2013409261A5026290034 @default.
• W2013409261 hasAuthorship W2013409261A5057327888 @default.
• W2013409261 hasConcept C121332964 @default.
• W2013409261 hasConcept C147597530 @default.
• W2013409261 hasConcept C147789679 @default.
• W2013409261 hasConcept C152365726 @default.
• W2013409261 hasConcept C159467904 @default.
• W2013409261 hasConcept C164866538 @default.
• W2013409261 hasConcept C178790620 @default.
• W2013409261 hasConcept C185592680 @default.
• W2013409261 hasConcept C199360897 @default.
• W2013409261 hasConcept C26873012 @default.
• W2013409261 hasConcept C2779546866 @default.
• W2013409261 hasConcept C41008148 @default.
• W2013409261 hasConcept C41999313 @default.
• W2013409261 hasConcept C544956773 @default.
• W2013409261 hasConcept C57863236 @default.
• W2013409261 hasConcept C74793105 @default.
• W2013409261 hasConcept C8010536 @default.
• W2013409261 hasConceptScore W2013409261C121332964 @default.
• W2013409261 hasConceptScore W2013409261C147597530 @default.
• W2013409261 hasConceptScore W2013409261C147789679 @default.
• W2013409261 hasConceptScore W2013409261C152365726 @default.
• W2013409261 hasConceptScore W2013409261C159467904 @default.
• W2013409261 hasConceptScore W2013409261C164866538 @default.
• W2013409261 hasConceptScore W2013409261C178790620 @default.
• W2013409261 hasConceptScore W2013409261C185592680 @default.

• next