FRINK Linked Data Fragments server

Matches in SemOpenAlex for { <https://semopenalex.org/work/W2068902564> ?p ?o ?g. }

• W2068902564 endingPage "11247" @default.
• W2068902564 startingPage "11242" @default.
• W2068902564 abstract "Isomer structures of four endohedral fullerene dimers Na@C60C60@F with an n-fold bond (n = 1, 2, 5 and 6) are obtained for the first time by using density functional theory. The n-fold bond depends on the dimeric pattern between endohedral fullerenes Na@C60 and F@C60. The pattern includes point−point (n = 1), side−side (n = 2), and face−face (n = 5, 6) mode. The four structures [1 + 1], [2 + 2], [5 + 5] and [6 + 6] have larger n-fold bond energies, as compared to that of the neutral π-(C60)2 dimer. In addition, the electronic properties of the endohedral dimers are first investigated. The dimers exhibit a strong nonlinear optical (NLO) response: large static first hyperpolarizabilities. Moreover, the first hyperpolarizability depends on the dimeric pattern. The large first hyperpolarizabilitiy is up to 25 169 au for [5 + 5], which is almost 110 times larger than that of the NaF molecule (228 au). The great enhancement of the first hyperpolarizability relates to the geometric effect of expanding the Na···F distance from 1.980 for NaF to 6.355 Å for [5 + 5], which provides a novel strategy for enhancing the first hyperpolarizability by altering the molecular structure. It is also found that the crucial charge transfer transition depends on the dimeric pattern, and controlling the transition may be performed by modulating the dimeric pattern. This work may promote the study of new nanomaterials, including high-performance NLO materials, and enrich knowledge of chemical bonds (for example, multifold bond between cages) and long-range interaction between two trapped atoms in different cages." @default.
• W2068902564 created "2016-06-24" @default.
• W2068902564 creator A5001832473 @default.
• W2068902564 creator A5003929654 @default.
• W2068902564 creator A5025956941 @default.
• W2068902564 creator A5044432790 @default.
• W2068902564 creator A5054831684 @default.
• W2068902564 creator A5055235315 @default.
• W2068902564 creator A5074195688 @default.
• W2068902564 date "2010-06-08" @default.
• W2068902564 modified "2023-09-30" @default.
• W2068902564 title "Modulated Nonlinear Optical Responses and Charge Transfer Transition in Endohedral Fullerene Dimers Na@C₆₀C₆₀@F with <i>n</i>-Fold Covalent Bond (<i>n</i> = 1, 2, 5, and 6) and Long Range Ion Bond" @default.
• W2068902564 cites W1490669226 @default.
• W2068902564 cites W1576385306 @default.
• W2068902564 cites W1606604967 @default.
• W2068902564 cites W1674015533 @default.
• W2068902564 cites W1963855297 @default.
• W2068902564 cites W1965503902 @default.
• W2068902564 cites W1968593677 @default.
• W2068902564 cites W1972703538 @default.
• W2068902564 cites W1977517912 @default.
• W2068902564 cites W1984841151 @default.
• W2068902564 cites W1986267673 @default.
• W2068902564 cites W1987942074 @default.
• W2068902564 cites W1988045019 @default.
• W2068902564 cites W1988590252 @default.
• W2068902564 cites W1988734156 @default.
• W2068902564 cites W1992684511 @default.
• W2068902564 cites W1993383767 @default.
• W2068902564 cites W1995632531 @default.
• W2068902564 cites W2001019695 @default.
• W2068902564 cites W2004536122 @default.
• W2068902564 cites W2005889347 @default.
• W2068902564 cites W2006079418 @default.
• W2068902564 cites W2009732751 @default.
• W2068902564 cites W2011254772 @default.
• W2068902564 cites W2011277674 @default.
• W2068902564 cites W2013926558 @default.
• W2068902564 cites W2018964250 @default.
• W2068902564 cites W2021572700 @default.
• W2068902564 cites W2023271753 @default.
• W2068902564 cites W2025619958 @default.
• W2068902564 cites W2026317102 @default.
• W2068902564 cites W2027399997 @default.
• W2068902564 cites W2032373722 @default.
• W2068902564 cites W2037102612 @default.
• W2068902564 cites W2042915648 @default.
• W2068902564 cites W2045696362 @default.
• W2068902564 cites W2046202047 @default.
• W2068902564 cites W2047721360 @default.
• W2068902564 cites W2049394618 @default.
• W2068902564 cites W2054177681 @default.
• W2068902564 cites W2058604844 @default.
• W2068902564 cites W2061555015 @default.
• W2068902564 cites W2062852634 @default.
• W2068902564 cites W2066782310 @default.
• W2068902564 cites W2066870295 @default.
• W2068902564 cites W2072405411 @default.
• W2068902564 cites W2073586652 @default.
• W2068902564 cites W2084715111 @default.
• W2068902564 cites W2085294834 @default.
• W2068902564 cites W2087973154 @default.
• W2068902564 cites W2088408771 @default.
• W2068902564 cites W2089162964 @default.
• W2068902564 cites W2094267599 @default.
• W2068902564 cites W2114763145 @default.
• W2068902564 cites W2129919603 @default.
• W2068902564 cites W2148941593 @default.
• W2068902564 cites W2171445884 @default.
• W2068902564 cites W2312287976 @default.
• W2068902564 cites W2316763635 @default.
• W2068902564 cites W4211257231 @default.
• W2068902564 cites W4294620751 @default.
• W2068902564 doi "https://doi.org/10.1021/jp9116479" @default.
• W2068902564 hasPublicationYear "2010" @default.
• W2068902564 type Work @default.
• W2068902564 sameAs 2068902564 @default.
• W2068902564 citedByCount "79" @default.
• W2068902564 countsByYear W20689025642012 @default.
• W2068902564 countsByYear W20689025642013 @default.
• W2068902564 countsByYear W20689025642014 @default.
• W2068902564 countsByYear W20689025642015 @default.
• W2068902564 countsByYear W20689025642016 @default.
• W2068902564 countsByYear W20689025642017 @default.
• W2068902564 countsByYear W20689025642018 @default.
• W2068902564 countsByYear W20689025642019 @default.
• W2068902564 countsByYear W20689025642020 @default.
• W2068902564 countsByYear W20689025642021 @default.
• W2068902564 countsByYear W20689025642022 @default.
• W2068902564 countsByYear W20689025642023 @default.
• W2068902564 crossrefType "journal-article" @default.
• W2068902564 hasAuthorship W2068902564A5001832473 @default.
• W2068902564 hasAuthorship W2068902564A5003929654 @default.
• W2068902564 hasAuthorship W2068902564A5025956941 @default.
• W2068902564 hasAuthorship W2068902564A5044432790 @default.
• W2068902564 hasAuthorship W2068902564A5054831684 @default.
• W2068902564 hasAuthorship W2068902564A5055235315 @default.
• W2068902564 hasAuthorship W2068902564A5074195688 @default.

• next