寡聚萘呋喃- pc_ {70}BM在BJH太阳能电池中的光致电子转移

Li Yang, Jing Wang, Meixia Zhang, Meiyu Zhao, Yumei Dai, P. Song
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引用次数: 0

摘要

主要依靠外电场的影响推导出电子耦合中电荷传递速率的变化,新的理论方法不仅可以更好地理解施主(D)受体(a)体系的化学结构、外电场和光电子性质,而且可以用于合理设计新型有机太阳能电池的D- a体系。本文选择PC70BM(苯基富勒烯-丁酸甲酯)(溶解度好,电子迁移率高,与普通高分子材料形成良好的相分离)作为受体;以低五种不同链长的寡聚萘呋喃分子(荧光探针分子的活性物质)为供体,在马库斯理论的基础上,利用密度泛函理论计算了本研究的电子耦合、重组能、反应的吉布斯自由能、电荷复合速率和激子解离速率。
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External electric field-dependent photoinduced electron transfer of Oligonaphthofurans-PC_{70}BM in BJH solar cell
To rely mainly on the impact of external electric field derived from the electronic coupling charge transfer rate in the change, the new theoretical method can not merely a better understanding of chemical structure the, external electric field and optoelectronic properties of donor(D)acceptor(A) system , but also can be used for reasonable design of D-A system of novel organic solar cells. This article selects PC70BM (phenyl-fullerenes-butyric acid methyl ester) (good solubility, high electron mobility, with common polymer material to take shape a fine phase separation) as this acceptor; low five different kinds of chain length of oligonaphthofurans molecules (active material of fluorescent probe molecule) as the donor, using density functional theory on the basis of the Marcus theory to calculate the electronic coupling ,reorganization energy, gibbs free energy of reaction ,rates of the charge recombination and the rates of exciton dissociation for this study.
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Journal of Atomic and Molecular Sciences
Journal of Atomic and Molecular Sciences PHYSICS, ATOMIC, MOLECULAR & CHEMICAL-
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