کد مقاله کد نشریه سال انتشار مقاله انگلیسی نسخه تمام متن
1808296 1525152 2016 6 صفحه PDF دانلود رایگان
عنوان انگلیسی مقاله ISI
Complementary study based on DFT to describe the structure and properties relationship of diblock copolymer based on PVK and PPV
موضوعات مرتبط
مهندسی و علوم پایه فیزیک و نجوم فیزیک ماده چگال
پیش نمایش صفحه اول مقاله
Complementary study based on DFT to describe the structure and properties relationship of diblock copolymer based on PVK and PPV
چکیده انگلیسی

The structure-properties relationships of copolymer involving N-vinylcarbazole (PVK) and poly (p-phenylene-vinylene) (PPV) blocks, denoted PVK–PPV, was investigated by calculations based on density functional theory (DFT) and completed by experimental analyses. Thus, vibrational, optical and emission spectra of model compound have been simulated and compared to the experiments observations published recently. Ionization potentials (IPs), electron affinities (EAs) and energy gaps were determined. Furthermore, quantum yields, radiative and nonradiative exciton lifetime was highlighted.

ناشر
Database: Elsevier - ScienceDirect (ساینس دایرکت)
Journal: Physica B: Condensed Matter - Volume 497, 15 September 2016, Pages 45–50
نویسندگان
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