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Y6 and its derivatives: molecular design and physical mechanism

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National Science Review 2021年第8期8卷 9-11页

作者： Qingya Wei Jun Yuan Yuanping Yi Chunfeng Zhang yingping zou College of Chemistry and Chemical Engineering Central South University Beijing National Laboratory for Molecular Sciences CAS Key Laboratory of Organic Solids Institute of ChemistryChinese Academy of Sciences National Laboratory of Solid State Microstructures School of Physics and Collaborative Innovation Center for Advanced Microstructures Nanjing University

Non-fullerene-acceptor(NFA) materials in the bulk heterojunction(BHJ) play an important role in high-performance organic solar cells(OSCs). Recently,Y-series acceptors with an A-DA D-A structure have been a research hotspot and advanced device efficiency to 15%–18%. This perspective will focus on the discovery of Y6 and its derivatives as well as the intrinsic physical mechanism of Y-series-based devices, which provides a guideline for future molecular design.

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A-DA′D-A non-fullerene acceptors for high-performance organic solar cells

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Science China Chemistry 2020年第10期63卷 1352-1366页

作者： Qingya Wei Wei Liu Mario Leclerc Jun Yuan Honggang Chen yingping zou College of Chemistry and Chemical Engineering Central South UniversityChangsha 410083China Department of Chemistry Universite LavalQuebec CityQuebec G1V 0A6Canada

Since the world-record power conversion efficiency of 15.7%was achieved for organic solar cells(OSCs)in 2019,the newly developed non-fullerene acceptor(NFA)Y6 with an A-DA′D-A structure(A denotes an electron-accepting moiety,D denotes an electron-donating moiety)has attracted increasing ***,many new A-DA′D-A NFAs have been designed and synthesized,and the A-DA′D-A NFAs have played a significant role in the development of high-performance non-fullerene organic solar cells(NF-OSCs).Compared with the classical A-D-A-type acceptors,A-DA′D-A NFAs contain an electrondeficient core(such as benzothiadiazole(BT),benzotriazole(BTA),quinoxaline(Qx),or their derivatives)in the ladder-type fused rings to fine-tune the energy levels,broaden light absorption and achieve higher electron mobility of the *** review emphasizes the recent progress on these emerging A-DA′D-A(including Y-series)*** synthetic methods of DA′D-fused rings are *** relationships between the chemical structure of the A-DA′D-A NFAs and the photovoltaic performance of the corresponding OSCs are summarized and ***,issues and prospects for further improving photovoltaic performance of the OSCs are also proposed.

关键词： organic solar cells A-DA′D-A non-fullerene acceptors electron-deficient core photovoltaic properties

Alkyl chain modulation of asymmetric hexacyclic fused acceptor synergistically with wide bandgap third component for high efficiency ternary organic solar cells

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International Journal of Minerals,Metallurgy and Materials 2024年第7期31卷 1713-1719页

作者： Shufang Li Huilan Guan Can Zhu Chaoyuan Sun Qingya Wei Jun Yuan yingping zou College of Chemistry and Chemical Engineering Central South UniversityChangsha 410083China Beijing National Laboratory for Molecular Sciences CAS Key Laboratory of Organic SolidsInstitute of ChemistryChinese Academy of SciencesBeijing 100190China Institute of Carbon Neutrality and New Energy School of Electronics and InformationHangzhou Dianzi UniversityHangzhou 310018China

Herein,two asymmetric hexacyclic fused small molecule acceptors(SMAs),namely BP4F-HU and BP4F-UU,were *** elongated outside chains in the BP4F-UU molecule played a crucial role in optimizing the morphology of blend film,thereby improving charge mobility and reducing energy loss within the corresponding ***,the PM6:BP4F-UU device exhibited a higher open-circuit voltage(V_(oc))of 0.878 V compared to the PM6:BP4F-HU device with a V_(oc)of 0.863 ***,a new wide bandgap SMA named BTP-TA was designed and synthesized as the third component to the PM6:BP4F-UU host binary devices,which showed an ideal complementary absorption spectrum in PM6:BP4F-UU *** addition,BTP-TA can achieve efficient intermolecular energy transfer to BP4F-UU by fluorescence resonance energy transfer(FRET)pathway,due to the good overlap between the photoluminescence(PL)spectrum of BTP-TA and the absorption region of ***,ternary devices with 15wt%BTP-TA exhibits broader photon utilization,optimal blend morphology,and reduced charge recombination compared to the corresponding binary ***,PM6:BP4F-UU:BTP-TA ternary device achieved an optimal power conversion efficiency(PCE)of 17.83%with simultaneously increased V_(oc)of 0.905 V,short-circuit current density(J_(sc))of 26.14 mA/cm^(2),and fill factor(FF)of 75.38%.

关键词： asymmetric hexacyclic acceptor outside chain wide bandgap acceptor ternary organic solar cells

Predicting power conversion efficiency of binary organic solar cells based on Y6 acceptor by machine learning

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Journal of Energy Chemistry 2023年第7期82卷 139-147,I0004页

作者： Qiming Zhao Yuqing Shan Chongchen Xiang Jinglun Wang yingping zou Guangjun Zhang Wanqiang Liu School of Chemistry and Chemical Engineering Key Laboratory of Theoretical Organic Chemistry and Function Molecule of Ministry of EducationHunan University of Science and TechnologyXiangtan 411100HunanChina College of Chemistry and Chemical Engineering Central South UniversityChangsha 410083HunanChina

Organic solar cells(OSCs)are a promising photovoltaic technology for practical ***,the design and synthesis of donor materials molecules based on traditional experimental trial-anderror methods are often complex and expensive in terms of money and *** learning(ML)can effectively learn from data sets and build reliable models to predict the performance of materials with reasonable accuracy.Y6 has become the landmark high-performance OSC acceptor *** collected the power conversion efficiency(PCE)of small molecular donors and polymer donors based on the Y6 acceptor and calculated their molecule structure *** we used six types of algorithms to develop models and compare the predictive performance with the coefficient of determination(R^(2))and Pearson correlation coefficient(r)as the *** them,decision tree-based algorithms showed excellent predictive capability,especially the Gradient Boosting Regression Tree(GBRT)models based on small molecular donors and polymer donors exhibited that the values of R2are 0.84 and 0.69 for the testing set,*** work provides a strategy to predict PCEs rapidly,and discovers the influence of the descriptors,thereby being expected to screen high-performance donor material molecules.

关键词： Machine learning Binary organic solar cells Y6 PCE

Atomically precise Ag_(30)Pd_(4)nanocluster as efficient polysulfides redox catalyst in Li-S batteries

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Journal of Energy Chemistry 2024年第12期99卷 512-521页

作者： Bin Fan Lubing Qin Weikun Chen Qian He Qingya Wei Zhenghua Tang yingping zou College of Chemistry and Chemical Engineering Central South UniversityChangsha 410083HunanChina New Energy Research Institute School of Environment and EnergySouth China University of TechnologyGuangzhou 510006GuangdongChina National Engineering Research Centre of Advanced Energy Storage Materials Changsha 410199HunanChina Institute of Carbon Neutrality and New Energy School of Electronics and InformationHangzhou Dianzi UniversityHangzhou 310018ZhejiangChina

Regulating the catalyst electronic structure is critical for improving the adsorption and catalytic conversion of lithium polysulfides(LiPSs)in lithium-sulfur batteries(Li-S),yet which has been overlooked in current *** this work,structurally defined Ag_(30)Pd_(4)nanoclusters were loaded onto reduced graphene oxide(Ag_(30)Pd_(4)/rGO)as a modification material for polypropylene(PP)separators to elucidate the catalytic activity towards lithium polysulfides and the impact on the electrochemical properties to lithium sulfur *** unique d-πcombination promotes charge transfer,influences overall charge states,and further enhances adsorption energies in potential reaction pathways with lithium ***,the Ag_(30)Pd_(4)/rGO/PP modified batteries exhibited an exceptionally low-capacity decay rate of 0.026%per cycle at 1.0C over 1000 stable cycles and 9.75 mAh cm^(-2)excellent performance even with lean electrolyte and high sulfur loading(9.7 mg cm^(-2)).This study paves a path for employing ultrasmall bimetallic nanoclusters to promote the polysulfides redox kinetics hence boosting the lithiumsulfur battery performance.

关键词： Ag_(30)Pd_(4)nanocluster Separator modification Lithium polysulfides Adsorption Catalysis

5H-dithieno[3,2-b:20,30-d]pyran-5-one unit yields efficient wide-bandgap polymer donors

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Science Bulletin 2019年第22期64卷 1655-1657页

作者： Jinfeng Liu Ling Liu Chuantian Zuo Zuo Xiao yingping zou Zhiwen Jin Liming Ding College of Chemistry and Chemical Engineering Central South UniversityChangsha 410083China Center for Excellence in Nanoscience(CAS) Key Laboratory of Nanosystem and Hierarchical Fabrication(CAS)National Center for Nanoscience and TechnologyBeijing 100190China CSIRO Manufacturing Bag 10Clayton SouthVictoria 3169Australia School of Physical Science and Technology Lanzhou UniversityLanzhou 730000China

Recently,great progress has been made in organic solar cells due to the emergence of high-performance nonfullerene acceptors[1-6].Over 16%and 17%power conversion efficiencies(PCEs)were achieved for nonfullerene-acceptor-based single-junction and tandem cells,respectively[7,8].Owing to complementary light absorption,wide-bandgap donor-acceptor(D-A)copolymers are ideal electron-donating partners for nonfullerene ***,efficient D-A copolymer donors are still limited.

关键词： acceptor donor complementary

A new non-fullerene acceptor based on the heptacyclic benzotriazole unit for efficient organic solar cells

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Journal of Energy Chemistry 2020年第3期29卷 169-173页

作者： Mei Luo Liuyang Zhou Jun Yuan Can Zhu Fangfang Cai Jiefeng Hai yingping zou College of Chemistry and Chemical Engineering Central South UniversityChangsha 410083HunanChina Guangxi Key Laboratory of Electrochemical and Magneto-Chemical Functional Materials College of Chemistry and BioengineeringGuilin University of TechnologyGuilin 541004GuangxiChina

Non-fullerene acceptors(NFAs)become an interesting family of organic photovoltaic materials,and have attracted considerable interest for their great potential in manufacturing large-area flexible solar panels by low cost coating methods[1–5].Recently,our group proposed in the first time an A-DA’D-A molecular strategy and synthesized a new class of non-fullerene acceptor Y6 with a record efficiency above 15%with single junction organic solar cells(OSCs)[6].To further improve the photovoltaic performance of OSCs,many effective strategies have been successfully explored,such as side-chain engineering and extension of fused core and terminal group engineering[7–12].As well-known,PCE of devices is determined by the open circuit voltage(Voc),short-circuit current density(Jsc)and fill factor(FF)[13].Among them,Voc is associated with low-lying highest occupied molecular orbital(HOMO)of donor and lowest unoccupied molecular orbital(LUMO)of acceptor of the active layer[14–16].Side-chain engineering is an effective strategy for manipulating energy levels and improving photovoltaic performance of devices[17–19].For example,introducing the alkyl/alkoxy chains can effectively tune the HOMO/LUMO energy levels[20–22].Tang et *** reported a novel non-fullerene acceptor ***6-IC has relatively high LUMO level and high Voc than those of ITIC due to the introduction of weak electrondonating hexyl group on thiophene[23].

关键词： Near-infrared electron acceptor Y9 Ladder-type heptacyclic fused ring Non-fullerene electron acceptors High-performance OSCs

Side-chain fluorination on the pyrido[3,4-b]pyrazine unit towards efficient photovoltaic polymers

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Science China Chemistry 2018年第2期61卷 206-214页

作者： Tao Wang Liuliu Feng Jun Yuan Lihui Jiang Wei Deng Zhi-Guo Zhang Yongfang Li yingping zou College of Chemistry and Chemical Engineering Central South University State Key Laboratory of Chemo/Biosensing and Chemometrics Hunan University Beijing National Laboratory for Molecular Sciences Institute of Chemistry Chinese Academy of Sciences

A series of new polymer donors (PT-PP, PT-2fPP and PT-4fPP) were synthesized based on alkylthiophene substituted benzodithiophene (BDT-T) and pyrido[3,4-b]pyrazine (PP) building blocks and the effects of fluorination on the polymer properties were explored. Photophysical properties, charge mobilities and morphologies of the three polymers have been intensively investigated. The results indicated that the introduction of the fluorine atom at meta-positions of phenyl substituted PP unit hardly affected their highest occupied molecular orbital (HOMO) level. More importantly, controlling the degree of side-chain fluorination in the polymers is crucial for optimizing the blend morphology. Three polymers showed different photovoltaic properties. The polymer solar cell (PSC) based on the single layer device structure of ITO/PEDOT:PSS/PT-4fPP:PC71BM (1:1, w:w)/ZrAcac/Al demonstrates a high power conversion efficiency (PCE) of 7.61% under the illumination of AM 1.5G,100 mW cm-2, which is the highest value for PP-based PSCs.

关键词： side-chain fluorination pyrido[3 4-b]pyrazine efficient photovoltaics

Novel photoelectrochemical immunosensor for MCF-7 cell detection based on n-p organic semiconductor heterojunction

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Chinese Chemical Letters 2022年第6期33卷 2954-2958页

作者： Qin Zeng Qingya Wei Jiarong Luo Yong Qian Minghui Yang yingping zou Limin Lu Hunan Provincial Key Laboratory of Micro&Nano Materials Interface Science College of Chemistry and Chemical EngineeringCentral South UniversityChangsha 410083China Institute of Functional Materials and Agricultural Applied Chemistry College of ScienceJiangxi Agricultural UniversityNanchang 330045China Jiangxi Key Laboratory for Mass Spectrometry and Instrumentation East China University of TechnologyNanchang 330013China

In this work,we developed a novel photoelectrochemical(PEC)sensor based on n-p organic semiconductor heterojunction for sensitive detecting MCF-7 cancer ***-C4 Ph and PM6 were designed as photoactive materials to form n-p heterojunction,which greatly enhanced the photoelectric conversion ***-modified magnetic nanoparticles were utilized to capture and separate MCF-7 cells from *** of MCF-7 is ascribed to the loading of MCF-7 onto BTA-C4 Ph-PM6 modified electrode that resulted in the decrease of photocurrent *** PEC immunosensor displayed a linear concentration ranging from 50 cell/m L to 1×10^(4) cell/m L with a limit of detection(LOD)of 41 cell/m L(S/N=3)for ***,the senor also exhibited good stability,excellent selectivity and prominent ***,the sensor was successfully applied to detect MCF-7 in whole *** work illustrates that n-p heterojunction of organic semiconductor may find wide applications for the preparation of different photoelectrochemical sensors.

关键词： Photoelectrochemical immunosensor Organic semiconductors n-p Heterojunction MCF-7