有机太阳能电池中的长程激子解离。
Long-range exciton dissociation in organic solar cells.
机构信息
Department of Chemistry and Centre of Scientific Computing, University of Warwick, Coventry, United Kingdom.
出版信息
Proc Natl Acad Sci U S A. 2012 Aug 21;109(34):13498-502. doi: 10.1073/pnas.1206172109. Epub 2012 Aug 6.
Abstract
It is normally assumed that electrons and holes in organic solar cells are generated by the dissociation of excitons at the interface between donor and acceptor materials in strongly bound hole-electron pairs. We show in this contribution that excitons can dissociate tens of angstroms away from the interface and generate partially separated electrons and holes, which can more easily overcome their coulombic attraction and form free charges. We first establish under what conditions long-range exciton dissociation is likely (using a kinetic model and a microscopic model for the calculation of the long-range electron transfer rate). Then, defining a rather general model Hamiltonian for the donor material, we show that the phenomenon is extremely common in the majority of polymer:fullerene bulk heterojunction solar cells.
摘要
通常认为，有机太阳能电池中的电子和空穴是由施主和受主材料界面处激子的离解产生的，在强束缚的空穴-电子对中。在本研究中，我们表明激子可以在离界面数十埃的距离处离解，并产生部分分离的电子和空穴，这些电子和空穴更容易克服它们的库仑吸引力并形成自由电荷。我们首先使用动力学模型和长程电子转移速率的微观模型来确定长程激子离解可能发生的条件（使用动力学模型和微观模型来计算长程电子转移速率）。然后，我们为施主材料定义了一个相当通用的模型哈密顿量，结果表明，在大多数聚合物：富勒烯体异质结太阳能电池中，这种现象非常普遍。
相似文献
1
Long-range exciton dissociation in organic solar cells.有机太阳能电池中的长程激子解离。
Proc Natl Acad Sci U S A. 2012 Aug 21;109(34):13498-502. doi: 10.1073/pnas.1206172109. Epub 2012 Aug 6.
2
Evidence of harvesting electricity by exciton recombination in an n-n type solar cell.在 n-n 型太阳能电池中通过激子复合收集电能的证据。
J Am Chem Soc. 2010 Apr 7;132(13):4554-5. doi: 10.1021/ja1003735.
3
Molecular helices as electron acceptors in high-performance bulk heterojunction solar cells.分子螺旋作为高性能体异质结太阳能电池中的电子受体。
Nat Commun. 2015 Sep 18;6:8242. doi: 10.1038/ncomms9242.
4
8.4% efficient fullerene-free organic solar cells exploiting long-range exciton energy transfer.利用长程激子能量转移实现 8.4%效率的无富勒烯有机太阳能电池。
Nat Commun. 2014 Mar 7;5:3406. doi: 10.1038/ncomms4406.
5
Incomplete exciton harvesting from fullerenes in bulk heterojunction solar cells.体异质结太阳能电池中富勒烯中不完全激子的收集。
Nano Lett. 2009 Dec;9(12):4037-41. doi: 10.1021/nl902205n.
6
Energy level alignment and sub-bandgap charge generation in polymer:fullerene bulk heterojunction solar cells.聚合物:富勒烯本体异质结太阳能电池中的能级排列和子带隙电荷产生。
Adv Mater. 2013 May 7;25(17):2434-9. doi: 10.1002/adma.201204495. Epub 2013 Feb 18.
7
Charge transfer state versus hot exciton dissociation in polymer-fullerene blended solar cells.聚合物-富勒烯混合太阳能电池中的电荷转移态与热激子解离。
J Am Chem Soc. 2010 Sep 1;132(34):11878-80. doi: 10.1021/ja1045742.
8
Geminate charge recombination in polymer/fullerene bulk heterojunction films and implications for solar cell function.聚合物/富勒烯体异质结薄膜中的孪生电荷复合及对太阳能电池性能的影响。
J Am Chem Soc. 2010 Sep 8;132(35):12440-51. doi: 10.1021/ja104786x.
9
Indaceno-Based Conjugated Polymers for Polymer Solar Cells.基于吲哚的共轭聚合物在聚合物太阳能电池中的应用。
Macromol Rapid Commun. 2018 Jul;39(14):e1700697. doi: 10.1002/marc.201700697. Epub 2018 Jan 4.
10
A Mini Review on the Development of Conjugated Polymers: Steps towards the Commercialization of Organic Solar Cells.共轭聚合物发展综述：迈向有机太阳能电池商业化的步伐
Polymers (Basel). 2022 Dec 29;15(1):164. doi: 10.3390/polym15010164.
引用本文的文献
1
Direct visualization of the charge transfer state dynamics in dilute-donor organic photovoltaic blends.稀施主有机光伏共混物中电荷转移态动力学的直接可视化
Nat Commun. 2024 Nov 14;15(1):9851. doi: 10.1038/s41467-024-53694-4.
2
Synthesis of model heterojunction interfaces reveals molecular-configuration-dependent photoinduced charge transfer.模型异质结界面的合成揭示了分子构型依赖性光致电荷转移。
Nat Chem. 2024 Sep;16(9):1453-1461. doi: 10.1038/s41557-024-01578-x. Epub 2024 Aug 20.
3
Aggregation promotes charge separation in fullerene-indacenodithiophene dyad.聚集促进了富勒烯-茚并二噻吩二元体系中的电荷分离。
Nat Commun. 2024 Jul 6;15(1):5681. doi: 10.1038/s41467-024-50001-z.
4
Missing Excitons: How Energy Transfer Competes with Free Charge Generation in Dilute-Donor/Acceptor Systems.缺失的激子：在稀施主/受主体系中能量转移如何与自由电荷产生相竞争
ACS Energy Lett. 2024 Feb 8;9(3):896-907. doi: 10.1021/acsenergylett.3c01969. eCollection 2024 Mar 8.
5
Even a little delocalization produces large kinetic enhancements of charge-separation efficiency in organic photovoltaics.即使是轻微的离域也会使有机光伏中的电荷分离效率产生大幅的动力学增强。
Sci Adv. 2022 Aug 12;8(32):eabl9692. doi: 10.1126/sciadv.abl9692.
6
Exciton Dissociation in a Model Organic Interface: Excitonic State-Based Surface Hopping versus Multiconfigurational Time-Dependent Hartree.模型有机界面中的激子解离：基于激子态的表面跳跃与多组态含时Hartree方法
J Phys Chem Lett. 2022 Aug 11;13(31):7105-7112. doi: 10.1021/acs.jpclett.2c01928. Epub 2022 Jul 28.
7
Vibronic coherence contributes to photocurrent generation in organic semiconductor heterojunction diodes.电子振动相干对有机半导体异质结二极管中的光电流产生有贡献。
Nat Commun. 2020 Jan 30;11(1):617. doi: 10.1038/s41467-020-14476-w.
8
Charge separation and carrier dynamics in donor-acceptor heterojunction photovoltaic systems.供体-受体异质结光伏系统中的电荷分离与载流子动力学
Struct Dyn. 2017 Dec 19;4(6):061503. doi: 10.1063/1.4996409. eCollection 2017 Nov.
9
Prediction of the lowest charge-transfer excited-state energy at the donor-acceptor interface in a condensed phase using ground-state DFT calculations with generalized Kohn-Sham functionals.使用具有广义Kohn-Sham泛函的基态密度泛函理论（DFT）计算来预测凝聚相中供体-受体界面处最低电荷转移激发态能量。
J Mol Model. 2017 Aug;23(8):235. doi: 10.1007/s00894-017-3412-y. Epub 2017 Jul 22.
10
Bulk heterojunction morphology of polymer:fullerene blends revealed by ultrafast spectroscopy.通过超快光谱学揭示的聚合物：富勒烯共混物的本体异质结形态。
Sci Rep. 2016 Nov 8;6:36236. doi: 10.1038/srep36236.
本文引用的文献
1
P3HT:PCBM, best seller in polymer photovoltaic research.P3HT:PCBM，聚合物光伏研究中最畅销的产品。
Adv Mater. 2011 Aug 16;23(31):3597-3602. doi: 10.1002/adma.201100792.
2
Ultrafast exciton dissociation followed by nongeminate charge recombination in PCDTBT:PCBM photovoltaic blends.超快激子解离后在 PCDTBT:PCBM 光伏混合物中非成对电荷复合。
J Am Chem Soc. 2011 Jun 22;133(24):9469-79. doi: 10.1021/ja201837e. Epub 2011 May 26.
3
Polymer-fullerene bulk-heterojunction solar cells.聚合物-富勒烯本体异质结太阳能电池。
Adv Mater. 2010 Sep 8;22(34):3839-56. doi: 10.1002/adma.200903697.
4
Microstructural characterization and charge transport in thin films of conjugated polymers.共轭聚合物薄膜的微观结构特征和电荷输运。
Adv Mater. 2010 Sep 8;22(34):3812-38. doi: 10.1002/adma.200903712.
5
Excitation energy transfer in donor-bridge-acceptor systems.给体-桥-受体体系中的激发能转移。
Phys Chem Chem Phys. 2010 Jul 21;12(27):7338-51. doi: 10.1039/c003805a. Epub 2010 Jun 16.
6
Origin of the efficient polaron-pair dissociation in polymer-Fullerene blends.聚合物-富勒烯共混物中高效极化子对解离的起源。
Phys Rev Lett. 2009 Jul 17;103(3):036402. doi: 10.1103/PhysRevLett.103.036402. Epub 2009 Jul 16.
7
Computational study of the structure and charge-transfer parameters in low-molecular-mass P3HT.低分子量聚（3-己基噻吩）的结构与电荷转移参数的计算研究
J Phys Chem B. 2009 Jul 16;113(28):9393-401. doi: 10.1021/jp904057m.
8
The electronic couplings in electron transfer and excitation energy transfer.电子转移和激发能量转移中的电子耦合。
Acc Chem Res. 2009 Apr 21;42(4):509-18. doi: 10.1021/ar800153f.
9
Protein dynamics and electron transfer: electronic decoherence and non-Condon effects.蛋白质动力学与电子转移：电子退相干和非康登效应。
Proc Natl Acad Sci U S A. 2005 Mar 8;102(10):3552-7. doi: 10.1073/pnas.0409047102. Epub 2005 Feb 28.
Zotero 插件