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Effect of defects on the electronic structure of a PbI2/MoS2 van der Waals heterostructure: A first-principles study

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Science China(Physics,Mechanics & Astronomy) 2020年第3期63卷 64-69页

作者： Wen He HuaWei Li huiqiong zhou HongKang Zhao Hui Wang XingHua Shi School of Physics Beijing Institute of TechnologyBeijing 100081China Laboratory of Theoretical and Computational Nanoscience CAS Key Laboratory for Nanosystem and Hierarchy FabricationCAS Center for Excellence in NanoscienceNational Center for Nanoscience and TechnologyChinese Academy of SciencesBeijing 100190China University of Chinese Academy of Sciences Beijing 100049China

PbI2/MoS2,as a typical van der Waals(vdW)heterostructure,has attracted intensive attention owing to its remarkable electronic and optoelectronic *** this work,the effect of defects on the electronic structures of a PbI2/MoS2 heterointerface has been systematically *** manner in which the defects modulate the band structure of PbI2/MoS2,including the band gap,band edge,band alignment,and defect energy-level density within the band gap is discussed *** is shown that sulfur defects tune the band gaps,iodine defects shift the positions of the band edge and Fermi level,and lead defects realize the conversions between the straddling-gap band alignment and valence-band-aligned gap,thus enhancing the light-absorption ability of the material.

关键词： defect engineering electronic structures PbI2/MoS2 van der Waals heterostructure first-principles study

On the Understandings of Dielectric Constant and Its Impacts on the Photovoltaic Efficiency in Organic Solar Cells

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Chinese Journal of Chemistry 2021年第2期39卷 381-390页

作者： Zihao Fu Xuning Zhang Hong Zhang Yanxun Li huiqiong zhou Yuan Zhang School of Chemistry Beijing Advanced Innovation Center for Biomedical EngineeringBeihang UniversityNo.37 Xueyuan RoadBeijing100191 China Key Laboratory of Nanosystem and Hierachical Fabrication CAS Center for Excellence in NanoscienceNational Center for Nanoscience and TechnologyBeijing100190 China

Dielectric constant(ε)is an important parameter affecting the power conversion efficiency of organic solar cells(OSC).Increasingεof bulk heterojunctions in general can benefit the performance of OSCs,as an increasedεwill reduce the influence of Coulomb interaction between weakly bound electron-hole pairs on charge-transfer states or bimolecular recombination involving mobile carriers to reduce geminate and nongeminate *** this review,we overview the current understandings on dielectric constant and its impacts on exciton dissociation and voltage losses in OSCs and summarize recent efforts attempting to modify the dielectric properties of OSC materials through synthetic *** further discuss the commonly adopted techniques for determining the parameter ofεwith stressing the testing conditions that may affect the accuracy of *** last,we suggest that novel experimental methods to improve the dielectric constant and resultant physical processes in OSCs will be appreciated,which helps enrich the existing strategy reservoir toward enhancement of photovoltaic efficiencies.

关键词： Amorphous materials Donor-acceptor systems Energy conversion Nanostructures Photolysis

Effects of processing additives in non-fullerene organic bulk heterojunction solar cells with efficiency >11%

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Chinese Chemical Letters 2019年第1期30卷 217-221页

作者： Shenkun Xie Jianqiu Wang Rong Wang Dongyang Zhang huiqiong zhou Yuan Zhang Defeng zhou School of Chemistry and Life Science Changchun University of Technology HEEGER Beijing Research & Development Center School of Chemistry Beihang University CAS Key Laboratory of Nanosystem and Hierarchical Fabrication CAS Center for Excellence in Nanoscience National Center for Nanoscience and Technology

Here we investigate processing additive-dependent photovoltaic performance and charge recombination in organic bulk heterojunction(BHJ) solar cells based on a polymeric donor of PBDB-T blended with a non-fullerene acceptor m-ITIC. We find that PBDB-T:m-ITIC solar cells exhibit good compatibilities with the utilized additives(DIO, CN, DPE, and NMP) in optimal conditions, can have a high charge dissociation probability approaching 100%(with DIO), leading to ultimate efficiency >11%. Regardless of additives, we observe a dominant 1 st order monomolecular recombination with insignificant bi-molecular recombination or space-charge effects in these solar cells. Despite of impressive power conversion efficiency(PCE), it is of surprise that Shockley-Read-Hall recombination is identified to play a role in device operation. Thus, it points to the necessity to mitigate the influences of traps to further boost the efficiency in non-fullerene based organic solar cells.

关键词： Organic solar cell Solvent additive Morphology Recombination Non-fullerene

Development and application of blade-coating technique in organic solar cells

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Nano Research 2023年第9期16卷 11571-11588页

作者： Xin Zhang Hong Zhang Shilin Li Linge Xiao Siwen Zhang Bing Han Jiajie Kang huiqiong zhou China School of Engineering and Technology China University of Geosciences(Beijing)Beijing 100083China CAS Key Laboratory of Nanosystem and Hierarchical Fabrication National Center for Nanoscience and TechnologyBeijing 100190China School of Chemistry Beihang UniversityBeijing 100191China The Department of Thoraciccardio Surgery PLA Rocket Force Characteristic Medical CenterBeijing 100088China

Due to the characteristics of lower material waste,higher crystallinity,roll-to-roll compatibility,and high-throughput continuous processing,blade-coating has been widely applied in the preparation of large-area organic solar *** this paper,the technique of blade-coating is introduced,including the effects of blading speed,substrate temperature,and other technological innovations during the process of ***,the recent progress of blade-coating in organic solar cells is summarized and the active layer prepared by a blade-coating method is introduced in detail,including materials,processing methods,solvents,and *** interface layer and electrodes prepared by the blade-coating method are also ***,some perspectives on the blade-coating method are *** the foreseeable future,blade-coating will become the core of batch production of large-area organic solar cells,so as to make organic solar cells more competitive.

关键词： blade-coating printable organic solar cells large-area

Molecular dispersion enhances photovoltaic efficiency and thermal stability in quasi-bilayer organic solar cells

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Science China Chemistry 2021年第1期64卷 116-126页

作者： Xuning Zhang Yanxun Li Dongyang Zhang Guangbao Wu Hong Zhang Jiyu zhou Xing Li Saud-uz-Zafar Jianqi Zhang Zhixiang Wei huiqiong zhou Yuan Zhang School of Chemistry\Beijing Advanced Innovation Center fo r Biomedical Engineering.Beihang University Beijing 100191China CAS Key Laboratory of Nanosvstem and Hierarchical Fabrication CAS Center for Excellence in NanoscienceNational Center for Nanoscience and TechnologyBeijing 100190China

In comparison to widely adopted bulk heterojunction(BHJ)structures for organic solar cells(OSC),exploiting the sequential deposition to form planar heterojunction(PHJ)structures enables to realize the favorable vertical phase separation to facilitate charge extraction and reduce charge recombination in ***,effective tunings on the power conversion efficiency(PCE)in PHJ-OSCs are still restrained by the currently available *** on a polymeric donor PBDBT-2 F(PBDBT=Poly[[4,8-bis[5-(2-ethylhexyl)-4-fluoro-2-thienyl]benzo[1,2-b:4,5-b′]dithiophene-2,6-diyl]-2,5-thiophenediyl[5,7-bis(2-ethylhexyl)-4,8-dioxo-4 H,8 H-benzo[1,2-c:4,5-c′]dithiophene-1,3-diyl]-2,5-thiophenediyl])and a non-fullerene(NF)acceptor Y6,we proposed a strategy to improve the properties of photovoltaic performances in PHJ-based OSCs through dilute dispersions of the PBDBT-2 F donor into the acceptor-dominant phase with the sequential film *** the control of donor dispersions,the charge transport balance in the PHJ-OSCs is improved,leading to the expedited photocarrier sweep-out with reduced bimolecular charge *** a result,a PCE of 15.4%is achieved in the ***,the PHJ solar cells with donor dispersions exhibit better thermal stability than corresponding BHJ devices,which is related to the better film morphology robustness and less affected charge sweep-out during the thermal aging.

关键词： diluted donor dispersion sequential film deposition vertical phase separation thermal stability

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Science China Chemistry 2019年第6期62卷 739-745页

作者： Fan Liu Shiqing Bi Xiaorui Wang Xuanye Leng Mengmeng Han Baoda Xue Qianqian Li huiqiong zhou Zhen Li Department of Chemistry Hubei Key Lab on Organic and Polymeric Opto-Electronic Materials Wuhan University CAS Key Laboratory of Nanosystem and Hierachical Fabrication CAS Center for Excellence in Nanoscience National Center for Nanoscience and Technology Institute of Molecular Aggregation Science Tianjin University

By intelligently utilizing the odd-even effect existing in the melting points of alkanes as presented in the basic textbook of Organic Chemistry, different alkoxy groups were introduced to modify the structure of commercial Spiro-OMeTAD to give new Spiro derivatives of Spiro-OEtTAD, Spiro-OPrTAD, Spiro-OiPrTAD and Spiro-OBuTAD, with the aim to adjust the molecular packing status in perovskite solar cells as hole transporting compounds. Excitedly, with the introduction of ethoxy groups instead of the methoxy ones in Spiro-OMeTAD, Spiro-OEtTAD-based perovskite solar cells demonstrated the highest device performance of 20.16%, higher than that of Spiro-OMeTAD(18.64%).

关键词： perovskite solar cells alkyl chains molecular packing

Synthesis and application of green solvent dispersed organic semiconducting nanoparticles

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Nano Research 2023年第12期16卷 13419-13433页

作者： Siwen Zhang Hong Zhang Shuo Yang Xin Zhang Shilin Li Liqing Huang Ya-nan Jing Linge Xiao Yuan Zhang Bing Han Jia-jie Kang huiqiong zhou China School of Engineering and Technology China University of Geosciences(Beijing)Beijing 100083China CAS Key Laboratory of Nanosystem and Hierarchical Fabrication National Center for Nanoscience and TechnologyBeijing 100190China Beijing Tingrun Membrane Technology Development Co. Ltd.Beijing 101102China School of Chemistry Beihang UniversityBeijing 100191China The Department of thoraciccardio surgery PLA Rocket Force Characteristic Medical CenterBeijing 100088China

Organic photovoltaic semiconductors have made significant progress and have promising application prospects after decades of *** compared with traditional semiconductors,the solution method for preparing photovoltaic semiconductors shows the advantages of low cost and convenient ***,because of the extremely poor solubility of the polymers used to prepare semiconductors,toxic solvents must be used when using the solution method,which has significant negative effects on the environment and operators and severely limits its development *** nanoparticles(NPs),on the other hand,can avoid these *** NPs are typically water or alcohol-based,no toxic solvents are ***,NPs have been used in organic solar cells,hydrogen catalysis,organic light-emitting diodes,and other fields after nearly two decades of development,and their preparation methods have been *** describe the preparation,optimization,and application of NPs in photovoltaic semiconductors in this review.

关键词： nanoparticle organic semiconductor miniemulsion method nanoprecipitation method surfactant

A silazane additive for CsPbI_(2)Br perovskite solar cells

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Chinese Physics B 2022年第11期31卷 54-59页

作者： Ruiqi Cao Yaochang Yue Hong Zhang Qian Cheng Boxin Wang Shilin Li Yuan Zhang Shuhong Li huiqiong zhou Beijing Technology&Business University Department of ChemistryBeijing 100048China CAS Key Laboratory of Nanosystem and Hierarchical Fabrication Nanoscience National Center for Nanoscience and TechnologyBeijing 100190China HEEGER Beijing Research&Development Center Beihang UniversityBeijing 100190China

Adding additives into peroskite precursor solution has been proven as a simple and efficient strategy to improve the quality of peroskite *** this work,we demonstrate an effective additive strategy to improve the quality of all-inorganic perovskite films by adding a novel silazane additive heptamethyldisilazane(HDMS).The power conversion efficiency(PCE)of the optimized devices is enhanced from 14.55%to 15.31%with an open-circuit voltage over 1.26 V due to the higher quality perovskite films with lower trap density after the incorporation of *** interestingly,the HDMS devices exhibit superior humidity and thermal stability compared with the control *** work provides a simple and efficient strategy to enhance the device performance and stability of all-inorganic perovskite solar cells,which could facilitate its commercialization.

关键词： silazane all-inorganic perovskite heptamethyldisilazane(HDMS) additive solar cells

Nanoscale heterogeneous distribution of surface energy at interlayers in organic bulkheterojunction solar cells

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Nanoscale heterogeneous distribution of surface energy at in...