FRINK Linked Data Fragments server

Matches in SemOpenAlex for { <https://semopenalex.org/work/W2078313900> ?p ?o ?g. }

• W2078313900 abstract "The geometric, energetic, and bonding properties of ${mathrm{CuSi}}_{n}$ ($n=4,$ 6, 8, 10, and 12) clusters in neutral and charged states are studied systematically using a hybrid density functional method (B3LYP). The ${mathrm{Si}}_{n}$ frameworks in most isomers of ${mathrm{CuSi}}_{n}$ are found to adopt the geometries of the ground-state or low-lying isomers of ${mathrm{Si}}_{n}$ or ${mathrm{Si}}_{n+1},$ with Cu at various substitutional or adsorption sites. Several cagelike structures with Cu at the center site are found for ${mathrm{CuSi}}_{10}$ and ${mathrm{CuSi}}_{12}.$ A hexagonal double-chair structure with Cu at the center, which bears a similarity to the structure of a regular hexagonal prism recently reported for ${mathrm{WSi}}_{12}^{+}$ [H. Hiura et al., Phys. Rev. Lett. 86, 1733 (2001)], is identified as the best candidate for the ground state of ${mathrm{CuSi}}_{12}.$ The Cu-Si bond in ${mathrm{CuSi}}_{n}$ is strong for the substitutional and the center-site structures, but weak for the adsorption structures where charge transfer and resulting ionic interaction is found to play a more important role. The Cu atom reveals a similar bonding character to the replaced Si atom in the substitutional structures except for ${mathrm{CuSi}}_{12},$ where the Cu atom both in the substitutional and in the center-site structures is found to form multicenter bonds with as many as nine (substitutional) to 12 (center-site) Si atoms. Various energetic properties, including binding and dissociation energies, ionization potentials, electron affinities, and vertical detachment energies are reported for ${mathrm{CuSi}}_{n}.$" @default.
• W2078313900 created "2016-06-24" @default.
• W2078313900 creator A5004539829 @default.
• W2078313900 creator A5020057448 @default.
• W2078313900 creator A5040483619 @default.
• W2078313900 date "2002-08-30" @default.
• W2078313900 modified "2023-10-01" @default.
• W2078313900 title "Geometric, energetic, and bonding properties of neutral and charged copper-doped silicon clusters" @default.
• W2078313900 cites W1670532903 @default.
• W2078313900 cites W1674544229 @default.
• W2078313900 cites W1964879935 @default.
• W2078313900 cites W1966008955 @default.
• W2078313900 cites W1970415031 @default.
• W2078313900 cites W1970425525 @default.
• W2078313900 cites W1971708700 @default.
• W2078313900 cites W1971777130 @default.
• W2078313900 cites W1971951303 @default.
• W2078313900 cites W1977950640 @default.
• W2078313900 cites W1978161517 @default.
• W2078313900 cites W1980269223 @default.
• W2078313900 cites W1980847673 @default.
• W2078313900 cites W1981787749 @default.
• W2078313900 cites W1983491128 @default.
• W2078313900 cites W1985339218 @default.
• W2078313900 cites W2000903141 @default.
• W2078313900 cites W2002108702 @default.
• W2078313900 cites W2003445409 @default.
• W2078313900 cites W2022472393 @default.
• W2078313900 cites W2030189830 @default.
• W2078313900 cites W2030605632 @default.
• W2078313900 cites W2032560861 @default.
• W2078313900 cites W2033579155 @default.
• W2078313900 cites W2038443147 @default.
• W2078313900 cites W2041512102 @default.
• W2078313900 cites W2044564131 @default.
• W2078313900 cites W2045205740 @default.
• W2078313900 cites W2046325281 @default.
• W2078313900 cites W2051424184 @default.
• W2078313900 cites W2055467624 @default.
• W2078313900 cites W2057349631 @default.
• W2078313900 cites W2061053296 @default.
• W2078313900 cites W2064418810 @default.
• W2078313900 cites W2075381847 @default.
• W2078313900 cites W2080241212 @default.
• W2078313900 cites W2080870681 @default.
• W2078313900 cites W2083788052 @default.
• W2078313900 cites W2087217343 @default.
• W2078313900 cites W2089701300 @default.
• W2078313900 cites W2130427619 @default.
• W2078313900 cites W2141033965 @default.
• W2078313900 cites W2155860404 @default.
• W2078313900 cites W2316207724 @default.
• W2078313900 cites W2914233597 @default.
• W2078313900 cites W4248583994 @default.
• W2078313900 cites W4249031999 @default.
• W2078313900 cites W4252871741 @default.
• W2078313900 doi "https://doi.org/10.1103/physrevb.66.075425" @default.
• W2078313900 hasPublicationYear "2002" @default.
• W2078313900 type Work @default.
• W2078313900 sameAs 2078313900 @default.
• W2078313900 citedByCount "104" @default.
• W2078313900 countsByYear W20783139002012 @default.
• W2078313900 countsByYear W20783139002013 @default.
• W2078313900 countsByYear W20783139002014 @default.
• W2078313900 countsByYear W20783139002015 @default.
• W2078313900 countsByYear W20783139002016 @default.
• W2078313900 countsByYear W20783139002017 @default.
• W2078313900 countsByYear W20783139002018 @default.
• W2078313900 countsByYear W20783139002019 @default.
• W2078313900 countsByYear W20783139002020 @default.
• W2078313900 countsByYear W20783139002022 @default.
• W2078313900 countsByYear W20783139002023 @default.
• W2078313900 crossrefType "journal-article" @default.
• W2078313900 hasAuthorship W2078313900A5004539829 @default.
• W2078313900 hasAuthorship W2078313900A5020057448 @default.
• W2078313900 hasAuthorship W2078313900A5040483619 @default.
• W2078313900 hasConcept C121332964 @default.
• W2078313900 hasConcept C145148216 @default.
• W2078313900 hasConcept C149635348 @default.
• W2078313900 hasConcept C178790620 @default.
• W2078313900 hasConcept C184779094 @default.
• W2078313900 hasConcept C185592680 @default.
• W2078313900 hasConcept C191897082 @default.
• W2078313900 hasConcept C192562407 @default.
• W2078313900 hasConcept C2182769 @default.
• W2078313900 hasConcept C2779463800 @default.
• W2078313900 hasConcept C41008148 @default.
• W2078313900 hasConcept C544778455 @default.
• W2078313900 hasConcept C58312451 @default.
• W2078313900 hasConcept C69523127 @default.
• W2078313900 hasConcept C8010536 @default.
• W2078313900 hasConceptScore W2078313900C121332964 @default.
• W2078313900 hasConceptScore W2078313900C145148216 @default.
• W2078313900 hasConceptScore W2078313900C149635348 @default.
• W2078313900 hasConceptScore W2078313900C178790620 @default.
• W2078313900 hasConceptScore W2078313900C184779094 @default.
• W2078313900 hasConceptScore W2078313900C185592680 @default.
• W2078313900 hasConceptScore W2078313900C191897082 @default.
• W2078313900 hasConceptScore W2078313900C192562407 @default.
• W2078313900 hasConceptScore W2078313900C2182769 @default.

• next