Excited-state properties of a blue luminescent covalent organic framework by the time-dependent density-functional tight-binding method

Computational and Theoretical Chemistry(2014)

引用 18|浏览13
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摘要
•Excited properties of a covalent organic framework are studied.•Calculated spectra compare well with experiment result.•Adjacent layers are more stable if layers are horizontally offset.•Eclipsed AA stacking structure promotes the carrier mobility.•Low-symmetry offset structure is more conducive to luminescence.
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关键词
Excited state,Covalent organic framework,Carrier transport,Luminescence,Dispersion interaction,Interlayer stacking
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