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Enhanced photoelectric and photocatalysis performances of quinacridone derivatives by forming D-π-A-A structure
Solar Energy ( IF 6.7 ) Pub Date : 2020-05-01 , DOI: 10.1016/j.solener.2020.03.053
Dongpeng Zhao , Reza Medi Saputra , Peng Song , Yanhui Yang , Fengcai Ma , Yuanzuo Li

Abstract Five D-π-A-A type of heterocyclic polycyclic aromatic hydrocarbons (hetero-PAHs) organic molecules with quinacridone (QA) derivatives as the core bridge connected with different donor groups of triarylamine (T), indoline derivative (W), and carbazole (K) and the auxiliary acceptor groups benzobisthiadiazole (B) and furan (F) have been designed. The potential application of designed sensitizers in solar cells and photocatalysis have been investigated. Microscopic major processes involve dye regeneration, electrons recombination, intramolecular charge transfer (ICT) properties and key parameters of molecular photoelectric performance. Besides, the coupling strength, energy gaps, dipole moments, molecular fluorescent lifetime and the bonding type between dye and TiO2 were estimated to reveal the nature of photocatalysis. Results indicated that introducing W or B unit should improve the photoelectric performance among all design strategies (especially, simultaneously introducing two moieties) due to the excellent electron-donating ability of W and the pull electrons' ability of B auxiliary acceptor. Designing WQAB@TiO2 and WQAF@TiO2 to have better photocatalytic properties owing to the stronger interaction and surface charge transfer, particularly for WQAB. Current molecular strategies using controlling moieties provide a choice for potential applications in solar cells and photocatalytic fields.

中文翻译:

通过形成 D-π-AA 结构增强喹吖啶酮衍生物的光电和光催化性能

摘要 五种D-π-AA型杂环多环芳烃(hetero-PAHs)有机分子,以喹吖啶酮(QA)衍生物为核心桥接与三芳胺(T)、二氢吲哚衍生物(W)和咔唑的不同供体基团( K) 和辅助受体基团苯并双噻二唑 (B) 和呋喃 (F) 已被设计。已经研究了设计的敏化剂在太阳能电池和光催化中的潜在应用。微观主要过程涉及染料再生、电子复合、分子内电荷转移 (ICT) 特性和分子光电性能的关键参数。此外,耦合强度、能隙、偶极矩、分子荧光寿命和染料与二氧化钛之间的键合类型被估计以揭示光催化的性质。结果表明,由于W的优异给电子能力和B辅助受体的拉电子能力,引入W或B单元应改善所有设计策略(尤其是同时引入两个部分)的光电性能。由于更强的相互作用和表面电荷转移,设计 WQAB@TiO2 和 WQAF@TiO2 以具有更好的光催化性能,特别是对于 WQAB。当前使用控制部分的分子策略为太阳能电池和光催化领域的潜在应用提供了选择。由于更强的相互作用和表面电荷转移,设计 WQAB@TiO2 和 WQAF@TiO2 以具有更好的光催化性能,特别是对于 WQAB。当前使用控制部分的分子策略为太阳能电池和光催化领域的潜在应用提供了选择。由于更强的相互作用和表面电荷转移,设计 WQAB@TiO2 和 WQAF@TiO2 以具有更好的光催化性能,特别是对于 WQAB。当前使用控制部分的分子策略为太阳能电池和光催化领域的潜在应用提供了选择。
更新日期:2020-05-01
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