Correlating Electronic Structure and Device Physics with Mixing Region Morphology in High-Efficiency Organic Solar Cells

Leng, Shifeng; Hao, Tianyu; Zhou, Guanqing; Zhu, Lei; Zhong, Wenkai; Yang, Yankang; Zhang, Ming; Xu, Jinqiu; Zhan, Junzhe; Zhou, Zichun; Chen, Jiajun; Lu, Shirong; Tang, Zheng; Shi, Zhiwen; Zhu, Haiming; Zhang, Yongming; Liu, Feng

doi:10.1002/advs.202104613

Title: Correlating Electronic Structure and Device Physics with Mixing Region Morphology in High-Efficiency Organic Solar Cells

Journal Article · 12 January 2022 · Advanced Science

DOI: https://doi.org/10.1002/advs.202104613 · OSTI ID:1981366

Leng, Shifeng ^[1]; Hao, Tianyu ^[1]; Zhou, Guanqing ^[1]; Zhu, Lei ^[1]; Zhong, Wenkai ^[1]; Yang, Yankang ^[1]; Zhang, Ming ^[1]; Xu, Jinqiu ^[1]; Zhan, Junzhe ^[1]; Zhou, Zichun ^[1]; Chen, Jiajun ^[1]; Lu, Shirong ^[2]; Tang, Zheng ^[3]; Shi, Zhiwen ^[1]; Zhu, Haiming ^[4]; Zhang, Yongming ^[1];

^[1]

Shanghai Jiao Tong Univ. (China)
University of Chinese Academy of Sciences, Chongqing (China). Chongqing Institute of Green and Intelligent Technology
Donghua Univ., Hangzhou (China)
Zhejiang Univ., Hangzhou (China)

The donor/acceptor interaction in non-fullerene organic photovoltaics leads to the mixing domain that dictates the morphology and electronic structure of the blended thin film. Initiative effort is paid to understand how these domain properties affect the device performances on high-efficiency PM6:Y6 blends. Different fullerenes acceptors are used to manipulate the feature of mixing domain. It is seen that a tight packing in the mixing region is critical, which could effectively enhance the hole transfer and lead to the enlarged and narrow electron density of state (DOS). As a result, short-circuit current (J_SC) and fill factor (FF) are improved. The distribution of DOS and energy levels strongly influences open-circuit voltage (V_OC). The raised filling state of electron Fermi level is seen to be key in determining device V_OC. Energy disorder is found to be a key factor to energy loss, which is highly correlated with the intermolecular distance in the mixing region. A 17.53% efficiency is obtained for optimized ternary devices, which is the highest value for similar systems. The current results indicate that a delicate optimization of the mixing domain property is an effective route to improve the V_OC, J_SC, and FF simultaneously, which provides new guidelines for morphology control toward high-performance organic solar cells.

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Research Organization:: Lawrence Berkeley National Laboratory (LBNL), Berkeley, CA (United States). Advanced Light Source (ALS)

Sponsoring Organization:: USDOE Office of Science (SC), Basic Energy Sciences (BES); National Key R&D Program of China; National Natural Science Foundation of China (NSFC)

Grant/Contract Number:: AC02-05CH11231

OSTI ID:: 1981366

Journal Information:: Advanced Science, Journal Name: Advanced Science Journal Issue: 6 Vol. 9; ISSN 2198-3844

Publisher:: WileyCopyright Statement

Country of Publication:: United States

Language:: English

References (48)

Subtle Molecular Tailoring Induces Significant Morphology Optimization Enabling over 16% Efficiency Organic Solar Cells with Efficient Charge Generation Zhou, Zichun; Liu, Wenrui; Zhou, Guanqing Advanced Materials, Vol. 32, Issue 4 https://doi.org/10.1002/adma.201906324	journal	December 2019
Effect of Polymer Crystallinity in P3HT:PCBM Solar Cells on Band Gap Trap States and Apparent Recombination Order Spoltore, Donato; Oosterbaan, Wibren D.; Khelifi, Samira Advanced Energy Materials, Vol. 3, Issue 4 https://doi.org/10.1002/aenm.201200674	journal	November 2012
Domain Purity, Miscibility, and Molecular Orientation at Donor/Acceptor Interfaces in High Performance Organic Solar Cells: Paths to Further Improvement Ma, Wei; Tumbleston, John R.; Wang, Ming Advanced Energy Materials, Vol. 3, Issue 7 https://doi.org/10.1002/aenm.201200912	journal	March 2013
Understanding the Morphology of PTB7:PCBM Blends in Organic Photovoltaics Liu, Feng; Zhao, Wei; Tumbleston, John R. Advanced Energy Materials, Vol. 4, Issue 5 https://doi.org/10.1002/aenm.201301377	journal	October 2013
Beyond Langevin Recombination: How Equilibrium Between Free Carriers and Charge Transfer States Determines the Open-Circuit Voltage of Organic Solar Cells Burke, Timothy M.; Sweetnam, Sean; Vandewal, Koen Advanced Energy Materials, Vol. 5, Issue 11 https://doi.org/10.1002/aenm.201500123	journal	April 2015
Photogenerated Carrier Mobility Significantly Exceeds Injected Carrier Mobility in Organic Solar Cells Melianas, Armantas; Pranculis, Vytenis; Xia, Yuxin Advanced Energy Materials, Vol. 7, Issue 9 https://doi.org/10.1002/aenm.201602143	journal	January 2017
Quantitative Morphology-Performance Correlations in Organic Solar Cells: Insights from Soft X-Ray Scattering Jiao, Xuechen; Ye, Long; Ade, Harald Advanced Energy Materials, Vol. 7, Issue 18 https://doi.org/10.1002/aenm.201700084	journal	May 2017
Efficient Organic Solar Cells with Extremely High Open-Circuit Voltages and Low Voltage Losses by Suppressing Nonradiative Recombination Losses Liu, Xi; Du, Xiaoyan; Wang, Junyi Advanced Energy Materials, Vol. 8, Issue 26 https://doi.org/10.1002/aenm.201801699	journal	July 2018
Efficient Organic Solar Cell with 16.88% Efficiency Enabled by Refined Acceptor Crystallization and Morphology with Improved Charge Transfer and Transport Properties Zhu, Lei; Zhang, Ming; Zhou, Guanqing Advanced Energy Materials, Vol. 10, Issue 18 https://doi.org/10.1002/aenm.201904234	journal	March 2020
Achieving Balanced Crystallization Kinetics of Donor and Acceptor by Sequential‐Blade Coated Double Bulk Heterojunction Organic Solar Cells Wang, Yilin; Wang, Xiaohui; Lin, Baojun Advanced Energy Materials, Vol. 10, Issue 28 https://doi.org/10.1002/aenm.202000826	journal	June 2020
Modulation of Morphological, Mechanical, and Photovoltaic Properties of Ternary Organic Photovoltaic Blends for Optimum Operation Peng, Zhongxiang; Jiang, Kui; Qin, Yunpeng Advanced Energy Materials, Vol. 11, Issue 8 https://doi.org/10.1002/aenm.202003506	journal	January 2021
Impact of Electrostatic Interaction on Bulk Morphology in Efficient Donor–Acceptor Photovoltaic Blends Ma, Lijiao; Yao, Huifeng; Wang, Jingwen Angewandte Chemie International Edition, Vol. 60, Issue 29 https://doi.org/10.1002/anie.202102622	journal	June 2021
On the morphology of polymer-based photovoltaics Liu, Feng; Gu, Yu; Jung, Jae Woong Journal of Polymer Science Part B: Polymer Physics, Vol. 50, Issue 15 https://doi.org/10.1002/polb.23063	journal	March 2012
Morphology Characterization of Bulk Heterojunction Solar Cells Song, Jingnan; Zhang, Ming; Yuan, Meng Small Methods, Vol. 2, Issue 3 https://doi.org/10.1002/smtd.201700229	journal	February 2018
Miscibility-Driven Optimization of Nanostructures in Ternary Organic Solar Cells Using Non-fullerene Acceptors Naveed, Hafiz Bilal; Ma, Wei Joule, Vol. 2, Issue 4 https://doi.org/10.1016/j.joule.2018.02.010	journal	April 2018
Quenching to the Percolation Threshold in Organic Solar Cells Ye, Long; Li, Sunsun; Liu, Xiaoyu Joule, Vol. 3, Issue 2 https://doi.org/10.1016/j.joule.2018.11.006	journal	February 2019
Single-Component Non-halogen Solvent-Processed High-Performance Organic Solar Cell Module with Efficiency over 14% Dong, Sheng; Jia, Tao; Zhang, Kai Joule, Vol. 4, Issue 9 https://doi.org/10.1016/j.joule.2020.07.028	journal	September 2020
High-efficiency organic solar cells with low voltage loss induced by solvent additive strategy Song, Jiali; Zhu, Lei; Li, Chao Matter, Vol. 4, Issue 7 https://doi.org/10.1016/j.matt.2021.06.010	journal	July 2021
Characterization of the morphology of solution-processed bulk heterojunction organic photovoltaics Liu, Feng; Gu, Yu; Shen, Xiaobo Progress in Polymer Science, Vol. 38, Issue 12 https://doi.org/10.1016/j.progpolymsci.2013.07.010	journal	December 2013
Simultaneous determination of carrier lifetime and electron density-of-states in P3HT:PCBM organic solar cells under illumination by impedance spectroscopy Garcia-Belmonte, Germà; Boix, Pablo P.; Bisquert, Juan Solar Energy Materials and Solar Cells, Vol. 94, Issue 2 https://doi.org/10.1016/j.solmat.2009.10.015	journal	February 2010
Temperature dependence of open-circuit voltage in organic solar cells from generation–recombination kinetic balance Garcia-Belmonte, Germà Solar Energy Materials and Solar Cells, Vol. 94, Issue 12 https://doi.org/10.1016/j.solmat.2010.07.006	journal	December 2010
Preaggregation Matching of Donors and Acceptors in Solution Accounting for Thermally Stable Non-Fullerene Solar Cells Xiao, Xinyu; Yi, Nan; Yao, Ge ACS Applied Materials & Interfaces, Vol. 12, Issue 52 https://doi.org/10.1021/acsami.0c17049	journal	December 2020
Room-Temperature and Solution-Processable Cu-Doped Nickel Oxide Nanoparticles for Efficient Hole-Transport Layers of Flexible Large-Area Perovskite Solar Cells He, Qiqi; Yao, Kai; Wang, Xiaofeng ACS Applied Materials & Interfaces, Vol. 9, Issue 48 https://doi.org/10.1021/acsami.7b13621	journal	November 2017
Marcus Hole Transfer Governs Charge Generation and Device Operation in Nonfullerene Organic Solar Cells Zhou, Guanqing; Zhang, Ming; Chen, Zeng ACS Energy Letters, Vol. 6, Issue 8 https://doi.org/10.1021/acsenergylett.1c01154	journal	August 2021
Miscibility Control by Tuning Electrostatic Interactions in Bulk Heterojunction for Efficient Organic Solar Cells Ma, Lijiao; Zhang, Shaoqing; Wang, Jingwen ACS Materials Letters, Vol. 3, Issue 9 https://doi.org/10.1021/acsmaterialslett.1c00328	journal	July 2021
Molecular Weight Dependence of the Morphology in P3HT:PCBM Solar Cells Liu, Feng; Chen, Dian; Wang, Cheng ACS Applied Materials & Interfaces, Vol. 6, Issue 22 https://doi.org/10.1021/am505283k	journal	October 2014
Selenium Heterocyclic Electron Acceptor with Small Urbach Energy for As-Cast High-Performance Organic Solar Cells Zhang, Zhenzhen; Li, Yawen; Cai, Guilong Journal of the American Chemical Society, Vol. 142, Issue 44 https://doi.org/10.1021/jacs.0c08557	journal	October 2020
Transient Optoelectronic Analysis of Charge Carrier Losses in a Selenophene/Fullerene Blend Solar Cell Maurano, Andrea; Shuttle, Chris G.; Hamilton, Rick The Journal of Physical Chemistry C, Vol. 115, Issue 13 https://doi.org/10.1021/jp109697w	journal	March 2011
Influence of Exciton Diffusion and Charge-Transfer State Dissociation Efficiency on the Short-Circuit Current Densities in Semi-Random Donor/Acceptor Polymer:Fullerene Solar Cells Li, Kejia; Khlyabich, Petr P.; Li, Lijun The Journal of Physical Chemistry C, Vol. 117, Issue 14 https://doi.org/10.1021/jp311930m	journal	March 2013
HOMO/LUMO Alignment at PTCDA/ZnPc and PTCDA/ClInPc Heterointerfaces Determined by Combined UPS and XPS Measurements Schlaf, R.; Parkinson, B. A.; Lee, P. A. The Journal of Physical Chemistry B, Vol. 103, Issue 15 https://doi.org/10.1021/jp982834y	journal	April 1999
Recombination in Annealed and Nonannealed Polythiophene/Fullerene Solar Cells: Transient Photovoltage Studies versus Numerical Modeling Hamilton, Rick; Shuttle, Christopher G.; O’Regan, Brian The Journal of Physical Chemistry Letters, Vol. 1, Issue 9 https://doi.org/10.1021/jz1001506	journal	April 2010
Influence of the Intermediate Density-of-States Occupancy on Open-Circuit Voltage of Bulk Heterojunction Solar Cells with Different Fullerene Acceptors Garcia-Belmonte, Germà; Boix, Pablo P.; Bisquert, Juan The Journal of Physical Chemistry Letters, Vol. 1, Issue 17 https://doi.org/10.1021/jz100956d	journal	August 2010
Molecular helices as electron acceptors in high-performance bulk heterojunction solar cells Zhong, Yu; Trinh, M. Tuan; Chen, Rongsheng Nature Communications, Vol. 6, Issue 1 https://doi.org/10.1038/ncomms9242	journal	September 2015
Correlation of energy disorder and open-circuit voltage in hybrid perovskite solar cells Shao, Yuchuan; Yuan, Yongbo; Huang, Jinsong Nature Energy, Vol. 1, Issue 1 https://doi.org/10.1038/nenergy.2015.1	journal	January 2016
Order enables efficient electron-hole separation at an organic heterojunction with a small energy loss Menke, S. Matthew; Cheminal, Alexandre; Conaghan, Patrick Nature Communications, Vol. 9, Issue 1 https://doi.org/10.1038/s41467-017-02457-5	journal	January 2018
The coupling and competition of crystallization and phase separation, correlating thermodynamics and kinetics in OPV morphology and performances Wang, Zaiyu; Gao, Ke; Kan, Yuanyuan Nature Communications, Vol. 12, Issue 1 https://doi.org/10.1038/s41467-020-20515-3	journal	January 2021
Single-layered organic photovoltaics with double cascading charge transport pathways: 18% efficiencies Zhang, Ming; Zhu, Lei; Zhou, Guanqing Nature Communications, Vol. 12, Issue 1 https://doi.org/10.1038/s41467-020-20580-8	journal	January 2021
High-efficiency small-molecule ternary solar cells with a hierarchical morphology enabled by synergizing fullerene and non-fullerene acceptors Zhou, Zichun; Xu, Shengjie; Song, Jingnan Nature Energy, Vol. 3, Issue 11 https://doi.org/10.1038/s41560-018-0234-9	journal	September 2018
Tuning V _oc for high performance organic ternary solar cells with non-fullerene acceptor alloys Chen, Yusheng; Ye, Pan; Jia, Xiangli Journal of Materials Chemistry A, Vol. 5, Issue 37 https://doi.org/10.1039/C7TA06237K	journal	January 2017
Ternary organic solar cells with 16.88% efficiency enabled by a twisted perylene diimide derivative to enhance the open-circuit voltage Ni, Ming-Yang; Leng, Shi-Feng; Liu, Heng Journal of Materials Chemistry C, Vol. 9, Issue 11 https://doi.org/10.1039/D0TC05691J	journal	January 2021
Progress and prospects of the morphology of non-fullerene acceptor based high-efficiency organic solar cells Zhu, Lei; Zhang, Ming; Zhong, Wenkai Energy & Environmental Science, Vol. 14, Issue 8 https://doi.org/10.1039/D1EE01220G	journal	January 2021
Optical bandgap energy of wurtzite InN Matsuoka, Takashi; Okamoto, Hiroshi; Nakao, Masashi Applied Physics Letters, Vol. 81, Issue 7 https://doi.org/10.1063/1.1499753	journal	August 2002
Optical bandgap widening of p-type Cu2O films by nitrogen doping Nakano, Yoshitaka; Saeki, Shu; Morikawa, Takeshi Applied Physics Letters, Vol. 94, Issue 2 https://doi.org/10.1063/1.3072804	journal	January 2009
The Long-Wavelength Edge of Photographic Sensitivity and of the Electronic Absorption of Solids Urbach, Franz Physical Review, Vol. 92, Issue 5 https://doi.org/10.1103/PhysRev.92.1324	journal	December 1953
Assessing the Validity of Transient Photovoltage Measurements and Analysis for Organic Solar Cells Wood, Sebastian; Blakesley, James C.; Castro, Fernando A. Physical Review Applied, Vol. 10, Issue 2 https://doi.org/10.1103/PhysRevApplied.10.024038	journal	August 2018
Relationship between energetic disorder and open-circuit voltage in bulk heterojunction organic solar cells Blakesley, James C.; Neher, Dieter Physical Review B, Vol. 84, Issue 7 https://doi.org/10.1103/PhysRevB.84.075210	journal	August 2011
Shockley equation parameters of P3HT:PCBM solar cells determined by transient techniques Foertig, A.; Rauh, J.; Dyakonov, V. Physical Review B, Vol. 86, Issue 11 https://doi.org/10.1103/PhysRevB.86.115302	journal	September 2012
The Role of Driving Energy and Delocalized States for Charge Separation in Organic Semiconductors Bakulin, A. A.; Rao, A.; Pavelyev, V. G. Science, Vol. 335, Issue 6074 https://doi.org/10.1126/science.1217745	journal	February 2012

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