期刊
SYNTHETIC METALS
卷 162, 期 19-20, 页码 1762-1768出版社
ELSEVIER SCIENCE SA
DOI: 10.1016/j.synthmet.2012.01.027
关键词
PPV-ether; DFT; Conjugation interruption; Transient photoluminescence; Excited state
Bond lengths and Mullikan charges distribution as well as optoelectronic properties including electronic structure and simulated optical and emission spectra on ground and excited states of modified PPV containing a random repetition of PV and ether's units, model structure, are examined by the use of density functional theory (DFT). Accordingly, the effect of ether inserting on the phenylene vinylene units at single or both sides and those of terminal groups are carried out. Findings are correlated with time transient photoluminescence decays (TR-PL) of standard PPV structure. Then, introduction of ether's segment on PPV backbone induces exciton confinement ant trapping process. (c) 2012 Elsevier B.V. All rights reserved.
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