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An Asymmetric Non-fullerene Acceptor with Low Energy Loss and High Photovoltaic Efficiency

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Chinese Journal of Chemistry 2023年第9期41卷 1045-1050页

作者： Ye xu jingwen Wang Huifeng Yao Pengqing Bi Tao Zhang Jianmei xu Jianhui Hou Beijing National Laboratory for Molecular Sciences State Key Laboratory of Polymer Physics and ChemistryCAS Research/Education Center for Excellence in Molecular SciencesInstitute of ChemistryChinese Academy of SciencesBeijing 100190China School of Chemical Sciences University of Chinese Academy of SciencesBeijing 100049China State Key Laboratory of Photovoltaic Science and Technology Trina SolarChangzhouJiangsu 213031China

Minimizing energy loss(E_(loss))plays a key role in improving the power conversion efficiencies(PCEs)of organic solar cells(OSCs).Here,to reveal the feasibility of the asymmetric molecular strategy in designing high-efficiency and low E_(loss)s OSC materials,we adopt the alkyl-alkoxy modification to design an asymmetric non-fullerene acceptor(NFA)named OC8-4F,where its symmetric alkyl-and alkoxy-substituted counterparties(2OC8-4F,eC9-4F)are also prepared.The results suggest that the introduction of a symmetric alkoxy at the edge of eC9-4F can effectively decrease the lowest unoccupied molecular orbit level without greatly changing the highest occupied molecular orbit level,leading to a mediated bandgap.In the devices,the OC8-4F possesses well-balanced charge generation and E_(loss),giving the highest PCE of 18%.Our results imply that finely tuning the asymmetric structure can be used as an effective molecular design strategy to improve the photovoltaic performance of OSCs.

关键词： Organic photovoltaic cells Non-fullerene acceptors Asymmetric synthesis Energy conversion Polymers

Enhanced removal of Cr(Ⅵ) by biochar with Fe as electron shuttles

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Journal of Environmental Sciences 2019年第4期31卷 109-117页

作者： Jingwen Xu Yongguang Yin Zhiqiang Tan Bowen Wang Xiaoru Guo Xia Li Jingfu Liu School of Environmental Sciences Liaoning University State Key Laboratory of Environmental Chemistry and Ecotoxicology Research Center for Eco-Environmental SciencesChinese Academy of Sciences University of Chinese Academy of Sciences

Biochar is extensively used as an effective soil amendment for environmental remediation.In addition to its strong contaminant sorption capability, biochar also plays an important role in chemical transformation of contaminant due to its inherent redox-active moieties.However, the transformation efficiency of inorganic contaminants is generally very limited when the direct adsorption of contaminants on biochar is inefficient. The present study demonstrates the role of Fe ion as an electron shuttle to enhance Cr(Ⅵ) reduction by biochars. Batch experiments were conducted to examine the effects of Fe(Ⅲ) levels,pyrolysis temperature of biochar, initial solution pH, and biochar dosage on the efficiency of Cr(Ⅵ) removal. Results showed a significant enhancement in Cr(Ⅵ) reduction with an increase in Fe(Ⅲ) concentration and a decrease of initial pH. Biochar produced at higher pyrolysis temperatures(e.g., 700°C) favored Cr(Ⅵ) removal, especially in the presence of Fe(Ⅲ), while a higher biochar dosage proved unfavorable likely due to the agglomeration or precipitation of biochar. Speciation analysis of Fe and Cr elements on the surface of biochar and in the solution further confirmed the role of Fe ion as an electron shuttle between biochar and Cr(Ⅵ). The present findings provide a potential strategy for the advanced treatment of Cr(Ⅵ) at low concentrations as well as an insight into the environmental fate of Cr(Ⅵ) and other micro-pollutants in soil or aqueous compartments containing Fe and natural or engineered carbonaceous materials.

关键词： Biochar Electron shuttle Fe(Ⅲ) Reduction Cr(Ⅵ)

Prediction model on hydrolysis kinetics of phthalate monoester:A density functional theory study

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Journal of Environmental Sciences 2024年第1期135卷 51-58页

作者： Tong xu jingwen Chen Deming Xia Weihao Tang Jiansheng Cui Chun Liu Shuangjiang Li College of Environmental Science and Engineering Hebei University of Science and TechnologyShijiazhuang 050000China Key Laboratory of Industrial Ecology and Environmental Engineering(Ministry of Education) School of Environmental Science and TechnologyDalian University of TechnologyDalian 116024China National-Regional Joint Engineering Research Center for Soil Pollution Control and Remediation in South China Guangdong Key Laboratory of Integrated Agro-environmental Pollution Control and ManagementInstitute of Eco-environmental and Soil SciencesGuangdong Academy of SciencesGuangzhou 510650China

As primary degradation products of phthalate esters,phthalate monoesters(MPEs)have been widely detected in various aquatic environments and drawn growing toxicological concerns.Hydrolysis kinetics that is of importance for assessing environmental persistence of chemicals remain elusive for MPEs.Herein,kinetics of base-catalyzed and neutral hydrolysis for 18 MPEs with different leaving groups was investigated by density functional theory calculation.Results indicate that MPEs with leaving groups having p Kaof<10 prefer dissociative transition states.MPEs are more persistent than their parents,and their hydrolysis half-lives were calculated to vary from 3.4 min to 79.2 years(p H=7–9).A quantitative structure-activity relationship model was developed for predicting the hydrolysis kinetics parameters.It was found that p Kaof the leaving groups and electronegativity of the MPEs are key factors determining the hydrolysis kinetics.This work may lay a theoretical foundation for better understanding the chemical process that governs MPE persistence in aquatic environments.

关键词： Phthalate monoesters Phthalate esters Hydrolysis Density functional theory Quantitative structure-activity relationship

Design of ultranarrow-bandgap acceptors for efficient organic photovoltaic cells and highly sensitive organic photodetectors

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Journal of Energy Chemistry 2022年第9期31卷 388-394,I0011页

作者： Ye xu Tao Zhang Huifeng Yao jingwen Wang Pengqing Bi Jianhui Hou Beijing National Laboratory for Molecular Sciences State Key Laboratory of Polymer Physics and ChemistryCAS Research/Education Center for Excellence in Molecular SciencesInstitute of ChemistryChinese Academy of SciencesBeijing 100190China School of Chemical Sciences University of Chinese Academy of SciencesBeijing 100049China

The fabrication of multifunctional electronic devices based on the intriguing natures of organic semiconductors is crucial for organic electronics.Ultranarrow-bandgap materials are in urgent demand for fabricating high-performance organic photovoltaic(OPV)cells and highly sensitive near-infrared organic photodetectors(OPDs).By combining alkoxy modification and an asymmetric strategy,three narrowbandgap electronic acceptors(BTP-4F,DO-4F,and QO-4F)were synthesized with finely tuned molecular electrostatic potential(ESP)distributions.Through the careful modulation of electronic configurations,the optical absorption onsets of DO-4F and QO-4F exceeded 1μm.The experimental and theoretical results suggest that the small ESP of QO-4F is beneficial for achieving a low nonradiative voltage loss,while the large ESP of BTP-4F can help obtain high exciton dissociation efficiency.By contrast,the asymmetric acceptor DO-4F with a moderate ESP possesses balanced voltage loss and exciton dissociation,yielding the best power conversion efficiency of 13.6%in the OPV cells.OPDs were also fabricated based on the combination of PBDB-T:DO-4F,and the as-fabricated device outputs a high shot-noise-limited specific detectivity of 3.05×10^(13) Jones at 850 nm,which is a very good result for near-infrared OPDs.This work is anticipated to provide a rational way of designing high-performance ultranarrow-bandgap organic semiconductors by modulating the molecular ESP.

关键词： Ultranarrow-bandgap acceptors Asymmetric design strategies Molecular electrostatic potentials Exciton dissociation Non-radiative energy loss

Toward fine-tuned metabolic networks in industrial microorganisms

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Synthetic and Systems Biotechnology 2020年第2期5卷 81-91页

作者： Ning Li Weizhu Zeng Sha xu jingwen Zhou Key Laboratory of Industrial Biotechnology Ministry of Education and School of BiotechnologyJiangnan University1800 Lihu RoadWuxiJiangsu214122China National Engineering Laboratory for Cereal Fermentation Technology Jiangnan University1800 Lihu RoadWuxiJiangsu214122China Jiangsu Provisional Research Center for Bioactive Product Processing Technology Jiangnan University1800 Lihu RoadWuxiJiangsu214122China

There are numerous microorganisms in nature capable of synthesizing diverse useful compounds;however,these natural microorganisms are generally inefficient in the production of target products on an industrial scale,relative to either chemical synthesis or extraction methods.To achieve industrial production of useful compounds,these natural microorganisms must undergo a certain degree of mutation or effective fine-tuning strategies.This review describes how to achieve an ideal metabolic fine-tuned process,including static control strategies and dynamic control strategies.The static control strategies mainly focus on various matabolic engineering strategies,including protein engineering,upregulation/downregulation,and combinatrorial control of these metabolic engineering strategies,to enhance the flexibility of their application in fine-tuned metabolic metworks.Then,we focus on the dynamic control strategies for fine-tuned metabolic metworks.The design principles derived would guide us to construct microbial cell factories for various useful compounds.

关键词： Fine-tuned regulation Protein engineering Upregulation Downregulation Dynamic regulation

A demand side controller of electrolytic aluminum industrial microgrids considering wind power fluctuations

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Protection and Control of Modern Power Systems 2022年第1期7卷 738-750页

作者： Xin Ding Jian xu Yuanzhang Sun Siyang Liao jingwen Zheng School of Electrical Engineering and Automation Wuhan UniversityWuhan 430072China School of Mechanical Engineering University of Shanghai for Science and TechnologyShanghaiChina State Grid Hubei Electric Power Research Institute State Grid Hubei Electric Power Co.Ltd.WuhanChina

Direct wind power purchase for large industrial users is a meaningful way to improve wind power consumption and decrease industrial production costs.Short-term wind power fluctuations may lead to large-scale wind power curtailment problems.To promote use of wind energy,a demand side control method is proposed based on output regulator theory for a grid-connected industrial microgrid with electrolytic aluminum loads to continuously track and respond to wind power fluctuations.The control model of the EALs and the dominant frequencies of the wind power fluctuation signals are analyzed and incorporated into the demand side control plant.The feedback control signals with active power deviations on the tie-line are used to design the demand side controller.Simulations are conducted for an actual industrial microgrid to validate the feasibility and effectiveness of the proposed method.The results demonstrate that the proposed controller based on output regulator theory is able to effectively track wind power fluctuations.

关键词： Wind power fluctuations Electrolytic aluminum load Demand side control Output regulator theory Industrial microgrid

Engineering large-scaled electrochromic semiconductor films as reproductive SERS substrates for operando investigation at the solid/liquid interfaces

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Chinese Chemical Letters 2022年第12期33卷 5169-5173页

作者： Lingling Yang Jiuju Feng Jia-Ning Wang Zhida Gao Jingwen Xu Ye Mei Yan-Yan Song College of Sciences Northeastern UniversityShenyang 110004China State Key Laboratory of Precision Spectroscopy School of Physics and Electronic ScienceEast China Normal UniversityShanghai 200062China NYU-ECNU Center for Computational Chemistry at NYU Shanghai Shanghai 200062China Collaborative Innovation Center of Extreme Optics Shanxi UniversityTaiyuan 030006China College of Chemistry and Life Sciences Zhejiang Normal UniversityJinhua 321004China

Although surface-enhanced Raman spectroscopy(SERS)has been applied for gathering fingerprint information,even in single molecule analysis,the decayed Raman signals in aqueous solutions largely obstruct the on-site insight reaction process.In this study,large-scaled semiconductor films with multi-walled(TiO_(2)/WO_(3)/TiO_(2))nanopore distribution are fabricated by combining electrochemical anodization and sputtering technique,and then employed as the SERS substrates for detection of molecules at the solid/liquid interfaces.Given the remarkably improved electrochromic property of the multi-walled film,such SERS substrates were endowed with tunable oxygen vacancy(VO)density and distribution via simply applying electrochemical bias voltage,which enabled one to achieve an enhanced charge transfer efficiency and thus a remarkably increased Raman signal even in solution.The VO-rich SERS substrate is highly repeatable,thus providing a reliable platform for in-situ monitoring of the target molecules or intermediates at the solid/liquid interfaces.

关键词： Charge transfer Electrochromism Oxygen vacancies SERS substrate Solid liquid interface

Enhanced cobalamin biosynthesis in Ensifer adhaerens by regulation of key genes with gradient promoters

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Synthetic and Systems Biotechnology 2022年第3期7卷 941-948页

作者： Sha xu Zhiqiang Xiao Shiqin Yu Weizhu Zeng Yongming Zhu jingwen Zhou National Engineering Laboratory for Cereal Fermentation Technology Jiangnan University1800 Lihu RoadWuxiJiangsu214122China School of Biotechnology and Key Laboratory of Industrial Biotechnology Ministry of EducationJiangnan University1800 Lihu RoadWuxiJiangsu214122China Science Center for Future Foods Jiangnan University1800 Lihu RoadWuxiJiangsu214122China Jiangsu Provisional Research Center for Bioactive Product Processing Technology Jiangnan University1800 Lihu RoadWuxiJiangsu214122China Hunan Hongying Biotechnology Co.Ltd. 10 Hongying RoadJinshiHunan415400China

Cobalamin is an essential human vitamin widely used in the pharmaceutical,food,and feed additive industries and currently produced by bacteria or archaea.Ensifer adhaerens HY-1 is an industrial strain that also produces cobalamin.However production outputs are poor and the specific synthesis pathways require characterization.In this study,the whole genome sequence of E.adhaerens HY-1 was generated and annotated,and genes associated with cobalamin biosynthesis were identified.Then,three genes,CobSV,CobQ,and CobW were identified as the most efficient ones for enhancing cobalamin synthesis.By transcriptome sequencing of E.adhaerens HY-1 cells at different growth stages,65 endogenous promoters with different gradient strengths were identified.After combined expression of different strength promoters and key genes,a high cobalamin-producing recombinant strain,‘hmm’(genotype:PmetH-CobSV-PibpA-CobQ-Pmdh-CobW),was generated.Cobalamin production was 143.8 mg/L in shaking flasks,which was 41.0%higher than the original strain.Cobalamin production was further enhanced to 171.2 mg/L using fed-batch fermentation.Importantly,our data and novel approach provide important references for the analysis of cobalamin synthesis and other metabolites in complex metabolic pathways.

关键词： Ensifer adhaerens Cobalamin Genome sequence Transcriptome sequence Promoter Overexpression Combinations

Application and Progress of Confinement Synthesis Strategy in Electrochemical Energy Storage

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Transactions of Tianjin University 2023年第2期29卷 151-187页

作者： Yike xu Zhenyu Liu Wenhua Cong jingwen Zhao xuguang Liu Meiling Wang College of Materials Science and Engineering Taiyuan University of TechnologyTaiyuan 030024China

Designing high-performance nanostructured electrode materials is the current core of electrochemical energy storage devices.Multi-scaled nanomaterials have triggered considerable interest because they effectively combine a library of advantages of each component on different scales for energy storage.However,serious aggregation,structural degradation,and even poor stability of nanomaterials are well-known issues during electrochemically driven volume expansion/contraction processes.The confinement strategy provides a new route to construct controllable internal void spaces to avoid the intrinsic volume effects of nanomaterials during the reaction or charge/discharge process.Herein,we discuss the confinement strategies and methods for energy storage-related electrode materials with a one-dimensional channel,two-dimensional interlayer,and three-dimensional space as reaction environments.For each confinement environment,the correlation between the confinement condition/structure and the behavioral characteristics of energy storage devices in the scope of metal-ion batteries(e.g.,Li-ion,Na-ion,K-ion,and Mg-ion batteries),Li-S batteries(LSBs),Zn-air batteries(ZIBs),and supercapacitors.Finally,we discussed the challenges and perspectives on future nanomaterial confinement strategies for electrochemical energy storage devices.

关键词： Confi nement Electrochemical energy storage Nanomaterials Batteries Supercapacitors