FRINK Linked Data Fragments server

Matches in SemOpenAlex for { <https://semopenalex.org/work/W4327893145> ?p ?o ?g. }

• W4327893145 endingPage "2704" @default.
• W4327893145 startingPage "2697" @default.
• W4327893145 abstract "Recently, the first example of Au–Ga clusters is synthesized and characterized, which can be described by the jellium model as a superatom with 8 valence electrons that come from the joint contribution of Au and Ga atoms, opening a whole new field for further research. Here, the structure features and stability of one Ga-doped Au cluster with magic number electrons (6 and 8) are analyzed in detail. Moreover, the valence electron fillings and chemical bonding of them are also further explored. It is found that Au3Ga and Au5Ga clusters present planar configurations, and they have higher stability than that of neighbor clusters. The AIMD simulations show that these two clusters still have a good thermal stability at 500 K. The molecular orbital analyses show that the Au3Ga and Au5Ga have three and one typical delocalization orbital throughout the whole planar spaces, respectively, following the planar σ-aromaticity rule. The ELF and LOL analyses are further performed, and the results are consistent with the molecular orbital analyses. The NICSzz-scan curves confirm that the Au3Ga is more aromatic than the Au5Ga, and the reason is that the former has more delocalized electrons than the latter. Our work opens up aromaticity studies in the Au–Ga clusters." @default.
• W4327893145 created "2023-03-21" @default.
• W4327893145 creator A5000903219 @default.
• W4327893145 creator A5012342300 @default.
• W4327893145 creator A5076200159 @default.
• W4327893145 creator A5078198032 @default.
• W4327893145 date "2023-03-20" @default.
• W4327893145 modified "2023-10-14" @default.
• W4327893145 title "Planar σ-Aromaticity in Ga-Doped Au Clusters" @default.
• W4327893145 cites W1538633425 @default.
• W4327893145 cites W1645806154 @default.
• W4327893145 cites W1660313932 @default.
• W4327893145 cites W1981368803 @default.
• W4327893145 cites W1982539988 @default.
• W4327893145 cites W1988091937 @default.
• W4327893145 cites W1996249939 @default.
• W4327893145 cites W2001524196 @default.
• W4327893145 cites W2013797972 @default.
• W4327893145 cites W2014345157 @default.
• W4327893145 cites W2030019360 @default.
• W4327893145 cites W2049552093 @default.
• W4327893145 cites W2053714500 @default.
• W4327893145 cites W2053769051 @default.
• W4327893145 cites W2060046820 @default.
• W4327893145 cites W2064882890 @default.
• W4327893145 cites W2067570011 @default.
• W4327893145 cites W2070005238 @default.
• W4327893145 cites W2089847899 @default.
• W4327893145 cites W2102572148 @default.
• W4327893145 cites W2105777183 @default.
• W4327893145 cites W2111444101 @default.
• W4327893145 cites W2113042138 @default.
• W4327893145 cites W2116546813 @default.
• W4327893145 cites W2120639085 @default.
• W4327893145 cites W2121817924 @default.
• W4327893145 cites W2132525235 @default.
• W4327893145 cites W2158424993 @default.
• W4327893145 cites W2164678391 @default.
• W4327893145 cites W2198163520 @default.
• W4327893145 cites W2253507059 @default.
• W4327893145 cites W2563282762 @default.
• W4327893145 cites W2605309312 @default.
• W4327893145 cites W2607900483 @default.
• W4327893145 cites W2622690450 @default.
• W4327893145 cites W2639771 @default.
• W4327893145 cites W2936354865 @default.
• W4327893145 cites W2943636355 @default.
• W4327893145 cites W2979064405 @default.
• W4327893145 cites W2979993409 @default.
• W4327893145 cites W2999909796 @default.
• W4327893145 cites W3021534992 @default.
• W4327893145 cites W3082581475 @default.
• W4327893145 cites W3095622493 @default.
• W4327893145 cites W3134695687 @default.
• W4327893145 cites W3155560814 @default.
• W4327893145 cites W3161581978 @default.
• W4327893145 cites W3206937040 @default.
• W4327893145 cites W4220869289 @default.
• W4327893145 cites W4233382044 @default.
• W4327893145 cites W4280592660 @default.
• W4327893145 cites W4308959211 @default.
• W4327893145 doi "https://doi.org/10.1021/acs.jpca.2c08741" @default.
• W4327893145 hasPubMedId "https://pubmed.ncbi.nlm.nih.gov/36939847" @default.
• W4327893145 hasPublicationYear "2023" @default.
• W4327893145 type Work @default.
• W4327893145 citedByCount "1" @default.
• W4327893145 countsByYear W43278931452023 @default.
• W4327893145 crossrefType "journal-article" @default.
• W4327893145 hasAuthorship W4327893145A5000903219 @default.
• W4327893145 hasAuthorship W4327893145A5012342300 @default.
• W4327893145 hasAuthorship W4327893145A5076200159 @default.
• W4327893145 hasAuthorship W4327893145A5078198032 @default.
• W4327893145 hasConcept C121332964 @default.
• W4327893145 hasConcept C121684516 @default.
• W4327893145 hasConcept C134786449 @default.
• W4327893145 hasConcept C139358910 @default.
• W4327893145 hasConcept C14323908 @default.
• W4327893145 hasConcept C147120987 @default.
• W4327893145 hasConcept C147597530 @default.
• W4327893145 hasConcept C159467904 @default.
• W4327893145 hasConcept C164866538 @default.
• W4327893145 hasConcept C168900304 @default.
• W4327893145 hasConcept C171706072 @default.
• W4327893145 hasConcept C178790620 @default.
• W4327893145 hasConcept C185592680 @default.
• W4327893145 hasConcept C192386470 @default.
• W4327893145 hasConcept C199360897 @default.
• W4327893145 hasConcept C32909587 @default.
• W4327893145 hasConcept C38649801 @default.
• W4327893145 hasConcept C41008148 @default.
• W4327893145 hasConcept C41999313 @default.
• W4327893145 hasConcept C539548551 @default.
• W4327893145 hasConcept C544153396 @default.
• W4327893145 hasConcept C62520636 @default.
• W4327893145 hasConcept C70050531 @default.
• W4327893145 hasConcept C8010536 @default.
• W4327893145 hasConcept C86025842 @default.
• W4327893145 hasConceptScore W4327893145C121332964 @default.

• next