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oe1(光电查) - 科学论文

2 条数据
?? 中文（中国） ▾

  • Effect of Electron Withdrawing/Donating Groups on the Sensitizing Action of the Novel Organic Dye a??3-(5-(4-(diphenylamino)styryl)thiophen-2-yl)-2-cyanoacrylic acida?? for N-type Dye Sensitized Solar Cells: A Theoretical Study

    摘要： Computational studies using DFT and TDDFT approaches have been performed to study a series of metal free donor-π-acceptor (D-π-A) dyes. Taking the novel organic D5 dye (3-(5-(4-(diphenylamino)styryl)thiophen-2-yl)-2-cyanoacrylic acid) as the primary structure, with triphenylamine as the donor, cyanoacrylic acid as the acceptor and a thiophene group as the π-linker, we have studied the effect of the substitution of different electron withdrawing and electron donating groups at different positions on the dye efficiency, by analyzing the geometry, charge distribution, electron injection and absorbance spectra. Electron injection has also been addressed for the substituted dyes immobilized on TiO2. Our calculations show that adding electron withdrawing groups at specific positions will lead to a higher efficiency of the dye.

    关键词： TDDFT,electron withdrawing groups,DFT,electron donating groups,dye sensitized solar cells,D5 dye

    更新于2025-09-23 15:19:57

  • A Highly Stable Organic Radical Cation

    摘要： Functionalization of a methylviologen with four methyl ester substituents significantly facilitates the first two reduction steps. The easily generated radical cation shows markedly improved air stability compared to the parent methylviologen, making this derivative of interest in organic electronic applications.

    关键词： organic electronics,air stability,methylviologen,radical cation,electron-withdrawing groups

    更新于2025-09-04 15:30:14