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Bifunctional bridging capping layer enables 24.5%efficiency of perovskite solar cells with polymer-based hole transport materials

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Science China Chemistry 2025年第1期68卷 350-359页

作者： Can Zhu Yiyang Wang lei Meng Beibei Qiu Jing Li Shucheng Qin Ke Hu xin Jiang Wenbin Lai Minchao Liu Zhe Liu Chenxing Lu Jinyuan zhang Yongfang Li Beijing National Laboratory for Molecular Sciences CAS Key Laboratory of Organic SolidsInstitute of ChemistryChinese Academy of SciencesBeijing 100190China School of Chemical Science University of Chinese Academy of SciencesBeijing 100049China Key Laboratory of Solid State Optoelectronic Devices of Zhejiang Province College of Physics and Electronic Information EngineeringZhejiang Normal UniversityJinhua 321004China Key Laboratory of Photochemical Conversion and Optoelectronic Materials Technical Institute of Physics and ChemistryChinese Academy of SciencesBeijing 100190China Laboratory of Advanced Optoelectronic Materials College of ChemistryChemical Engineering and Materials ScienceSoochow UniversitySuzhou 215123China

Developing a bridge capping layer between perovskite and hole transport layer materials(HTMs)in the n-i-p perovskite solar cells(pero-SCs)is an effective approach to modify the morphology of HTMs and passivate the perovskite ***,we select the quinoxaline-based bifunctional passivation agent,quinoxalin-6-yl-methylamine hydrochloride(Qx MACl),as the bridging layer,and a D-A copolymer PBQ12 containing the same quinoxaline unit as an HTM for the n-i-p *** to theπ-πstacking among the common quinoxaline units in the bridge layer and HTM,Qx MACl induces theπ-πstacking of the PBQ12 film and improves the film morphology of HTMs with better ***,Qx MACl can effectively passivate the perovskite surface,and PBQ12 possesses appropriate energy levels and high hole *** pero-SCs based on FAPbI_(3)with PBQ12/Qx MACl treatment showed a higher power conversion efficiency(PCE)of 24.05%and outstanding stability,maintaining 95.4%and 92.1%of its initial PCE after 750 h of storage and after over 800 h of thermal annealing at 85℃,*** further enhance the PCE of the PBQ12/Qx MACl-based devices,we developed a non-metal ion dopant for the PBQ12 *** trace doping of PBQ12 HTM by the non-metal ion dopant,the PCE of the PBQ12/Qx MACl-based devices reached 25.24%(the calibrated PCE of 24.55%by the National Institute of Metrology,China).

关键词： D-A copolymer hole transport materials bifunctional bridge capping layer passivation perovskite solar cells

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From waste to wealth:Coal tar residue derived carbon materials as low-cost anodes for potassium-ion batteries

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International Journal of Minerals,Metallurgy and Materials 2025年第2期32卷 464-475页

作者： Zhonghua Lu Jun Shen xin zhang Lingcong Chao Liang Chen Ding zhang Tao Wei Shoudong Xu College of Chemical Engineering and Technology Taiyuan University of TechnologyTaiyuan 030024China College of Chemistry Taiyuan University of TechnologyTaiyuan 030024China School of Chemical Engineering and Pharmacy Wuhan Institute of TechnologyWuhan 430205China School of Energy and Power Jiangsu University of Science and TechnologyZhenjiang 212003China

Carbon materials are widely recognized as highly promising electrode materials for various energy storage system *** tar residues(CTR),as a type of carbon-rich solid waste with high value-added utilization,are crucially important for the development of a more sustainable *** this study,we employed a straightforward direct carbonization method within the temperature range of 700-1000℃to convert the worthless solid waste CTR into economically valuable carbon materials as anodes for potassium-ion batteries(PIBs).The effect of carbonization temperature on the microstructure and the potassium ions storage properties of CTR-derived carbons(CTRCs)were systematically explored by structural and morphological characterization,alongside electrochemical performances *** on the co-regulation between the turbine layers,crystal structure,pore structure,functional groups,and electrical conductivity of CTR-derived carbon carbonized at 900℃(CTRC-900H),the electrode material with high reversible capacity of 265.6m Ah·g^(-1)at 50 m A·g^(-1),a desirable cycling stability with 93.8%capacity retention even after 100 cycles,and the remarkable rate performance for PIBs were ***,cyclic voltammetry(CV)at different scan rates and galvanostatic intermittent titration technique(GITT)have been employed to explore the potassium ions storage mechanism and electrochemical kinetics of *** indicate that the electrode behavior is predominantly governed by surface-induced capacitive processes,particularly under high current densities,with the potassium storage mechanism characterized by an“adsorption-weak intercalation”*** work highlights the potential of CTR-based carbon as a promising electrode material category suitable for high-performance PIBs electrodes,while also provides valuable insights into the new avenues for the high value-added utilization of CTR.

关键词： coal tar residue carbon materials anode potassium-ion batteries high value-added

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Taming of trinitromethyl-oxadiazole to access high density and high oxygen balance via a dual modulation strategy

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Defence Technology(防务技术) 2025年第1期43卷 142-149页

作者： Jinya zhang Teng Fei Jingwei Meng Jinxiong Cai lei zhang Siping Pang Chunlin He School of Materials Science&Engineering Beijing Institute of TechnologyBeijing 100081China Experimental Center of Advanced Materials School of Materials Science&EngineeringBeijing Institute of TechnologyBeijing 100081China hongqing Innovation Center Beijing Institute of TechnologyChongqing 401120China

Energetic compounds bearing the trinitromethyl group are garnering broad attraction as potential candidates for a new generation of high energy dense *** this work,an effective dual modulation strategy involving both molecular isomerization and crystal morphology control was employed to design and optimize trinitromethyl-oxadiazole with improved comprehensive *** this dual strategy,3,5-bis(trinitromethyl)-1,2,4-oxadiazole(3)was synthesized,resulting in the formation of two distinct crystal morphologies(needle and sheet)corresponding to two crystal forms(3-a and3-b).Encouragingly,while maintaining ultra-high oxygen balance(21.73%),3 achieves impressive densities(1.97-1.98 g/cm^(3)).To our knowledge,the density of 1.98 g/cm^(3)for 3-a sets a new record among that of nitrogen-rich monocyclic ***,practical crystal morphology prediction was creatively introduced to guide the experimental crystallization conditions of 3,increasing the impact sensitivity and friction sensitivity from 1 J to 80 N(3-a)to 10 J and 240 N(3-b),***,the crystal structural analyses and theoretical calculations were conducted to elucidate the reasons of differences between 3-a and 3-b in density and *** work provides an efficient strategy to enhance performance of trinitromethyl derivatives,broadening the path and expanding the toolbox for energetic materials.

关键词： Energetic materials High oxygen balance High density Dual modulation Trinitromethyl group

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Optimizing local search-based partial MaxSAT solving via initial assignment prediction

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Science China(Information Sciences) 2025年第2期68卷 59-73页

作者： Chanjuan LIU Guangyuan LIU Chuan LUO Shaowei CAI Zhendong lei Wenjie zhang Yi CHU Guojing zhang School of Computer Science and Technology Dalian University of Technology School of Software Beihang University Institute of Software Chinese Academy of Sciences School of Computer Science Peking University

Partial maximum satisfiability(PMS) is a significant generalization of Boolean satisfiability(SAT) and maximum satisfiability(MaxSAT), by introducing hard clauses and soft clauses. Compared with SAT and MaxSAT, the PMS problem has more real-world applications where both hard and soft constraints are involved. Local search is an effective incomplete method for solving PMS and is useful for important domains where good-quality solutions are desired within reasonable *** local search PMS solvers, the approach for initial assignment generation is crucial because its effectiveness significantly affects practical performance. In this study, we propose a novel initial assignment prediction approach, called InitPMS. When predicting an assignment for PMS, InitPMS considers the specific structure of PMS instances, i.e., distinguishing hard and soft clauses. Our experiments on extensive PMS instances from MaxSAT evaluations(MSEs) 2020 and 2021 show that InitPMS significantly boosts the performance of five state-of-the-art local search PMS solvers, demonstrating its generality. In addition,our results indicate that incorporating InitPMS could improve the performance of one of the best incomplete PMS solvers in MaxSAT Evaluation 2021, indicating that InitPMS might help advance the state of the art in PMS solving.

关键词： MaxSAT local search initial assignment incomplete method assignment prediction

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Mercury contents and potential exposure risk of rice-containing food products

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Journal of Environmental Sciences 2025年第2期148卷 683-690页

作者： xin Wang Yingjun Wang Yaqi zhang Ziyan Liu Xiaomeng Ji Yong Cai Shandong Key Laboratory of Environmental Processes and Health School of Environmental Science and EngineeringShandong UniversityQingdao 266237China Department of Chemistry&Biochemistry Florida International UniversityMiamiFL 33199USA

Mercury(Hg),especially methylmercury(MeHg),accumulation in rice grain due to rice paddy possessing conditions conducive to Hg methylation has led to human Hg exposure through consumption of rice-based daily *** addition to being a food staple,rice is widely used as a raw material to produce a vast variety of processed food *** is known about Hg levels in snacking rice-food products and potential Hg exposure from consumption of them,besides previous studies on infant rice *** to provide complementary information for a more complete assessment on Hg exposure risk originated from Hgcontaining rice,this study determined total Hg(THg)and MeHg levels in 195 rice-containing and rice-free processed food products covering all major types of snack foods marketed in China and the estimated daily intake(EDI)of dietary Hg from the consumption of these *** results clearly showed THg and MeHg contents in rice-containing foods were significantly higher than rice-free products,suggesting the transfer of Hg and MeHg from the rice to the end products,even after manufacturing ***,significant positive correlations were observed between THg,MeHg,or MeHg/THg ratio and rice content for samples containing multiple grains as ingredients,further indicating the deciding role of rice for Hg levels in the end food *** the EDI of THg and MeHg via ricebased food products were relatively low compared to the reference dose,it should be considered these snacking food products would contribute additive Hg intake outside of the daily regular meals.

关键词： Mercury Methylmercury Processed food products Rice Dietary exposure

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Supramolecular Ion Channel with Controlled K+/Na+Transport Behaviors

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Chemical Research in Chinese Universities 2025年第1期41卷 95-100页

作者： HE lei LUO Yichen zhang Yang YAN Tengfei LIU Junqiu College of Material Chemistry and Chemical EngineeringKey Laboratory of Organosilicon Chemistry and Material Technology of Ministry of EducationKey Laboratory of Organosilicon Material Technology of Zhejiang ProvinceHangzhou Normal UniversityHangzhou310036P.R.China

Dysfunction of ion channels,often caused by mutations in natural proteins,can lead to various *** artificial analogs have shown great promise to substitute the abnormal ***,we report a supramolecular potassium channel that forms through the self-assembly of pyrene-crown ether conjugated by intermolecularπ-π*** self-assembled dimer of this channel was optimized and calculated to have a binding energy of−27.4 kcal/mol(1 kcal=4.18 kJ).Evidence for the formation of an active ion channel by PC5 was confirmed using a planar lipid bilayer(BLM)workstation,while no such activity was observed for *** K+/Na+selectivity was reversed in the reduced form,R-PC5,due to the elimination of the planar structure of PC5,resulting in R-PC5 functioning as a Na+***,incorporating the pyrene group facilitates imaging in living cells,providing a potentially viable method for investigating the behaviors of artificial ion channels in living systems.

关键词： Crown ether Pyrene Ion transport Self-assembly

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Visible-light-responsive homologous heterostructure of oxynitrides constructed to boost charge separation and water splitting

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Science China Chemistry 2025年第1期68卷 186-191页

作者： Hai Zou Yunfeng Bao Xueshang xin Yu Qi Tengfeng Xie Fuxiang zhang State Key Laboratory of Catalysis Dalian National Laboratory for Clean EnergyDalian Institute of Chemical PhysicsChinese Academy of SciencesDalian 116023China School of Chemistry and Chemical Engineering Liaoning Normal UniversityDalian 116029China College of Chemistry Jilin UniversityChangchun 130012China

Constructing typeⅡheterostructures represents a widely recognized strategy for enhancing charge separation and photocatalytic efficiency,but it remains challenging to fabricate homologous heterostructures based on visible-light-responsive semiconductors,especially for popularly investigated(oxy)nitrides with low thermal ***,we synthesized a homologous heterostructure(denoted as YTON_H)based on the oxynitrides of YTaO_(4-x)N_(y)and YTa ON_(2).This heterostructure exhibits type Ⅱ band structure alignment and intimate interface achieved through a magnesium(Mg)powder-assisted nitridation *** with widely reported heterologous heterostructures,the as-obtained YTON_H homologous heterostructure could similarly exhibit enhanced charge separation as well as photocatalytic water splitting performance with respect to its counterparts(YTaO_(4-x)N_(y)and YTaON_(2)).Meanwhile,detailed structural characterizations and spectroscopy analysis have been made to confirm the formation of heterostructure and promotion of spatial charge separation.

关键词： charge separation heterostructure oxynitride photocatalysis visible light

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Chemical characteristics and sources apportionment of volatile organic compounds in the primary urban area of Shijiazhuang,North China Plain

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Journal of Environmental Sciences 2025年第3期149卷 465-475页

作者： Xiao zhang Junfeng Wang Jiangwei Zhao Junliang He Yali lei Kai Meng RuiWei Xue zhang Miaomiao zhang Shuangying Ni Eleonora Aruffo College of geographical sciences and Environment Shijiazhuang UniversityShijiazhuang 050035China Jiangsu Key Laboratory of Atmospheric Environment Monitoring and Pollution Control Collaborative Innovation Center of Atmospheric Environment and Equipment TechnologySchool of Environmental Science and EngineeringNanjing University of Information Science and TechnologyNanjing 210044China Hebei Province Ecology Environmental Monitoring Center Shijiazhuang 050037China Key Lab of Geographic Information Science of the Ministry of Education School of Geographic SciencesEast China Normal UniversityShanghai 200241China Hebei Provincial Institute of Meteorological Sciences Shijiazhuang 050021China Key Laboratory of Meteorology and Ecological Environment of Hebei Province Shijiazhuang 050021China Hebei Provincial Academy of Ecological Environmental Science Shijiazhuang 050037China Department of Advanced Technologies in Medicine&Dentistry University“G.d’Annunzio”of Chieti-PescaraChieti 66100Italy Center for Advanced Studies and Technology-CAST Chieti 66100Italy

VOCs(Volatile organic compounds)exert a vital role in ozone and secondary organic aerosol production,necessitating investigations into their concentration,chemical characteristics,and source apportionment for the effective implementation of measures aimed at preventing and controlling atmospheric *** to October 2020,onlinemonitoringwas conducted in the main urban area of Shijiazhuang to collect data on VOCs and analyze their concentrations and ***,the PMF(positive matrix factorization)method was utilized to identify the VOCs *** indicated that the TVOCs(total VOCs)concentration was(96.7±63.4μg/m^3),with alkanes exhibiting the highest concentration of(36.1±26.4μg/m^3),followed by OVOCs(16.4±14.4μg/m^3).The key active components were alkenes and aromatics,among which xylene,propylene,toluene,propionaldehyde,acetaldehyde,ethylene,and styrene played crucial roles as reactive *** sources derived from PMF analysis encompassed vehicle emissions,solvent and coating sources,combustion sources,industrial emissions sources,as well as plant sources,the contribution of which were 37.80%,27.93%,16.57%,15.24%,and 2.46%,***,reducing vehicular exhaust emissions and encouraging neighboring industries to adopt low-volatile organic solvents and coatings should be prioritized to mitigate VOCs levels.

关键词： Volatile organic compounds Pollution characteristics Ozone formation potential OH radical loss rate Source apportionment

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Sunlight-induced Permanent Hair Dyeing

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Chinese Journal of Polymer Science 2025年第2期43卷 261-270页

作者： Ting zhang Bo Liang Jian-Hua zhang lei Yang Jun-Fei Hua Yi-Wen Li College of Polymer Science and Engineering State Key Laboratoryof Polymer Materials EngineeringSichuan UniversityChengdu 60065China Schoolof Materials Science and Engineering Hubei University of Automotive TechnologyShiyan 442002China School of Emergent Soft Matter South China University of TechnologyGuangzhou 510640China

Hair coloring has emerged as an integral part of the cosmetic industry,particularly in response to the increasing global aging *** natural melanin analog,polydopamine(PDA),has garnered considerable attention as an eco-friendly hair dye,and several kinds of polymerization ways of dopamine(DA)have been proposed including alkali catalysis,metal ion catalysis,strong oxidants,and enzyme-mediated oxidation reactions and *** the controllability of polymerization and potential toxicity of involved metal ions are still in *** by the photoprotective mechanism in human skin,we have developed the melanin-inspired hair dyeing strategy that allowed for the in situ oxidative polymerization of DA under ultraviolet(UV)*** polymerization was triggered by photobase generators(PBGs),a class of compounds that produced organic bases upon UV and sunlight *** resulting hair showed an adjustable color from light brown to black by tuning the ratio of DA and PBG(DA@PBG),the concentration of DA,and light exposure *** dyed hairs showed excellent washing resistance and superior anti-static ***,Hair Color Spray DA@PBG also demonstrated a desirable hair dyeing effect and excellent biosecurity by simply spraying it on the hair under *** novel sunlight-induced method provided a new direction towards the preparation of natural hair dyes and could promote the development of green and safe hair dyes in colorful and brilliant artistic-grade hair coloring.

关键词： Polydopamine Melanin Polymerization Hair dye Photo-initiation

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Methyl Groups Pendant on Triphenylmethane Toward Modulating Thermal Stability and Dielectric Properties of the Crosslinkable Fluorinated Polyimide Films with High Transparency

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Chinese Journal of Polymer Science 2025年第2期43卷 316-327页

作者： Wen Yang Liang Yuan Kai Gong Ruo-Han zhang Lan lei Hui Li School of Chemistry and Chemical Engineering Shandong Key Laboratory of Fluorine Chemistry and Chemical Engineering MaterialsUniversity of JinanJinan250022China School of Materials Science and Engineering Tianjin Key Laboratory of Composite and Functional MaterialsTianjin UniversityTianjin300350China

It is urgent to develop high-performance polyimide(PI)films that simultaneously exhibit high transparency,exceptional thermal stability,mechanical robustness,and low dielectric to fulfil the requirements of flexible display ***,a series of fluorinated polyimide films(FPIs)were fabricated by the condensation of 5,5′-(perfluoropropane-2,2-diyl)bis(isobenzofuran-1,3-dione)(6FDA)and the fluorinated triphenylmethane diamine monomer(EDA,MEDA and DMEDA)with heat-crosslinkable tetrafluorostyrene side groups,which was incorporated by different numbers of methyl groups pendant in the ortho position of amino ***,the FPI films underwent heating to produce crosslinking FPIs(C-FPIs)through the self-crosslinking of double bonds in the *** transparency,solvent resistance,thermal stability,mechanical robustness and dielectric properties of FPI and C-FPI films can be tuned by the number of methyl groups and crosslinking,which were deeply investigated by virtue of molecular dynamics(MD)simulations and density functional theory(DFT).As a result,all the films exhibited exceptional optically colorless and transparent,with transmittance in the visible region of 450-700 nm exceeding 79.9%,and the cut-off wavelengths(λ_(off))were nearly 350 *** thermal decomposition temperatures at 5% weight loss(T_(d5%))for all samples exceeded 504℃.These films exhibited a wide range of tunable tensile strength(46.5-75.1 MPa).Significantly,they showed exceptional dielectric properties with the dielectric constant of 2.3-2.5 at full frequency(10^(7)-20 Hz).This study not only highlights the relationship between the polymer molecular structure and properties,but offer insights for balancing optical transparency,heat resistance and low dielectric constant in PI films.

关键词： Crosslinkable fluorinated polyimide Methyl group Triphenylmethane Transparency Thermal stability Low dielectric constant

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