کد مقاله | کد نشریه | سال انتشار | مقاله انگلیسی | نسخه تمام متن |
---|---|---|---|---|
7842439 | 1506510 | 2018 | 49 صفحه PDF | دانلود رایگان |
عنوان انگلیسی مقاله ISI
Electric field effect on multi-anchoring molecular architectures: Electron transfer process and opto-electronic property
ترجمه فارسی عنوان
اثر میدان الکتریکی بر روی چند پیچیدگی معماری مولکولی: فرایند انتقال الکترون و اموال الکترونیکی
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کلمات کلیدی
اموال الکترونیکی انتخابی، سلول های خورشیدی حساس شده به رنگ، تئوری کاربردی تراکم، ساختار الکترونیکی،
موضوعات مرتبط
مهندسی و علوم پایه
شیمی
شیمی تئوریک و عملی
چکیده انگلیسی
The molecular structures and optoelectronic properties of single/double-anchoring phenothiazine-based dyes (DCE1/DCE2) were calculated based on density functional theory (DFT) and time-dependent DFT (TD-DFT). There are two primary objectives: one is to study the influence of different number anchoring types on the overall efficiency, and the other is to shed light on how a local electric field affects the performance of double-anchoring dyes DCE2. The calculated results indicate that, DCE2 has larger harvesting efficiency (LHE), electron accepting power (Ï+) and dipole moment (unormal) as well as lower reorganization energy (λtotal) and chemical hardness (η), which lead to a higher short circuit current density (Jsc) and open-circuit voltage (Voc) compared to DCE1. Under a condition of electric field, the unormal of DCE2 with the increase of electric field strength has increased as compared to nonelectric field environment, leading to a larger VOC. Furthermore, the electron accepting power (Ï+) is increased and the chemical hardness (η) is decreased, which will further improve the Jsc. Therefore, the results show that the electric field is beneficial to improve the performance of double-anchoring DCE2, and the electric field is an important way to further enhance efficiency of DSSCs.
ناشر
Database: Elsevier - ScienceDirect (ساینس دایرکت)
Journal: Journal of Molecular Liquids - Volume 261, 1 July 2018, Pages 123-136
Journal: Journal of Molecular Liquids - Volume 261, 1 July 2018, Pages 123-136
نویسندگان
Yuanzuo Li, Yuanchao Li, Peng Song, Fengcai Ma, Yanhui Yang,