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Unraveling the impacts of intermolecular interaction on morphology evolution for highly efficient organic solar cells and modules

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Science China Chemistry 2025年第1期68卷 264-272页

作者： Xueqing ma Yingying Cheng Yuqiang Liu Xinming Zheng Guangliu Ran Hongxiang Li Xinyue Cui Andong Zhang Wenkai Zhang Pei Cheng Wenchao Huang Zhishan Bo Beijing key laboratory of energy Conversion and Storage materials College of Chemistry Beijing Normal University College of Textiles and Clothing State Key Laboratory of Bio-fibers and Eco-textiles Qingdao University key State laboratory of Advanced Technology for materials Synthesis and Processing School of Materials Science and EngineeringWuhan University of Technology Department of Physics and Applied Optics Beijing Area major laboratory Center for Advanced Quantum Studies Beijing Normal University State key laboratory of Polymer materials engineering College of Polymer Science and Engineering Sichuan University

Understanding the effect of intermolecular interaction on the growth dynamic of active layers is critical for advancing organic solar cells(OSCs). However, the diverse structure of donors and acceptors makes the research challenging. Additives with customizable structures and properties could simplify this complexity. Herein, we meticulously tailor two additives of 3,4-ethylenedioxythiophene(eDOT) and 2,5-dibromo-3,4-ethylenedioxythiophene(DBeDOT), possessing distinct intermolecular interaction features to elaborate the inherent relationship. It is found that varied interaction strengths can alter film formation processes. The enhanced intermolecular interaction between the DBeDOT and non-fullerene acceptor BTP-e C9-4F results in pre-aggregation and longer crystallization duration of BTP-e C9-4F, facilitating the formation of films with compact molecular packing and decent phase separation. Thus, exciton dissociation and charge transport become more efficient. Finally, devices processed with DBeDOT exhibit a remarkable power conversion efficiency of 19.35% in small-area OSCs and 14.11% in bladecoated 5 cm × 5 cm organic solar mini-modules. especially, OSCs can maintain 80% of their initial efficiency after continuous annealing at 85 °C for over 2,100 h.

关键词： organic solar cell non-fullerene acceptor film growth molecular packing intermolecular interaction

experimental study of dual nano-network, high-temperature resistant aerogel material as an integration of thermal management functions

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Journal of energy Chemistry 2025年第1期100卷 157-170页

作者： Yueyue Xiao Tianke mao Zun Zhao Yuelei Pan Heping Zhang Xudong Cheng State key laboratory of Fire Science University of Science and Technology of China

Thermal management system is highly desirable to guarantee the performance and thermal safety of lithium-ion batteries,but it reduces the energy density of battery modules and even is unable to provide highly effective ***,a thermal management function integrated material is presented based on high-temperature resistant aerogel and phase change material and is applied at both charge–discharge process and thermal runaway *** this sandwich structure Paraffin@SiC nanowire/Aerogel sheet （denoted as PA@SAS） system,SiC nanowires endow the middle aerogel sheet （SAS） a dual nano-network *** enhanced mechanical properties of SAS were studied by compressive tests and dynamic mechanical ***,the thermal conductivity of SAS at 600°C is only 0.042 W/（m K）.The surface phase change material layers facilitate temperature uniformity of batteries （surface temperature difference less than 1.82°C） through latent ***,a large-format battery module with four 58 Ah LiNi0.5Co0.2mn0.3O2LIBs was ***@SAS successfully prevents thermal runaway propagation,yielding a temperature gap of 602°C through the 2 mm-thick cross ***@SAS also exhibits excellent performance in other safety issues such as temperature rise rate,flame heat flux,*** lightweight property and effective insulation performance achieves significant safety enhancement with mass and volume energy density reduction of only 0.79%and 5.4%,*** originality of the present research stems from the micro and macro structure design of the proposed thermal management material and the combination of intrinsic advantages of every *** work provides a reliable design of achieving the integration of thermal management functions into an aerogel composite and improves the thermal safety of lithium-ion batteries.

关键词： Thermal insulation

Separation of the ionospheric and thermospheric contributions in the data from the Triple Ionosophere Photo meter onboard the Feng-Yun 3e satellite

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Science China earth Sciences 2025年第1期68卷 172-184页

作者： Fang JIANG Tian mAO Jin-Song WANG Xiu-Qing HU Xiao-Xin ZHANG Liping FU Nan JIA Tianfang WANG National Space Science Center Chinese Academy of Sciences Beijing key laboratory of Space environment exploration key laboratory of environmental Space Situation Awareness Technology National Satellite meteorological Center China Meteorological Administration

The Triple Ionosphere Photo meter （TRIPm） is a far ultraviolet nadir-view photometer that is onboard the secondgeneration,polar-orbiting Chinese meteorological satellite Feng-Yun 3e （FY-3e）,which was launched on July 5,*** has three channels,and each is used to measure different types of emissions:（1） 135.6 nm airglow produced by the recombination of the O+ions and electrons in the absence of sunlight （nighttime channel）;（2） 135.6 nm airglow from the OI when sunlight is present （daytime/dusk-dawn 135.6 nm channel）;and （3） Airglow in the N2LBH of the TRIPm （daytime/dusk-dawn N2LBH channel）.FY-3e is a satellite operating in the early morning ***,the data are mostly distributed on the dawndusk side or at times when the solar zenith angle is relatively *** this study,combined with simulation calculations,the data are *** further explore the application value of the data products,a model is used to separate the ionospheric radiative recombination contribution from the thermosphere photoelectron impact excitation contribution in the data from the daytime/dusk-dawn 135.6 nm *** approach not only improves the accuracy of O/N2derived from the 135.6 nm channel and N2LBH channel but also provides the ionospheric 135.6 nm radiance at the same time as the *** results show that the 135.6 nm radiance originating from the combination of O+and electrons extracted from the measurement data exhibits similar equatorial anomaly peak structure characteristics and seasonal variations as the corresponding GPS total electron content （TeC） *** the other hand,the separated 135.6 nm radiance generated from the thermosphere photoelectron collision excitation does not contain radiative recombination contributions;thus,the ionosphere influence is greatly avoided when the O/N2is obtained.

关键词： Far ultraviolet 135.6 nm emission intensity Photoelectron impact excitation Radiative recombination excitation

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enantioselective reductive conjugate alkenylation of α,β-enones with keto alkenyl acetates by nickel catalysis

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Science China Chemistry 2025年第1期68卷 157-162页

作者： Rong-De He Yun-Lei Luo Qiu-Quan Pan Qi-Wei Yao Xing-Zhong Shu State key laboratory of Applied Organic Chemistry College of Chemistry and Chemical Engineering Lanzhou University

Reactions involving alkenyl acetates offer cost-effective and environmentally friendly routes for alkene synthesis, yet their asymmetric variant remains elusive. Concurrently, asymmetric conjugate alkenylation predominantly centered on nucleophilic addition using alkenyl–m. This manuscript presents an asymmetric reductive conjugate alkenylation reaction involving alkenyl acetates. The method facilitates the enantioselective addition of keto alkenyl groups to α,β-enones, resulting in the formation of unsaturated diketones—a class of useful structural motifs that are challenging to access otherwise. The use of electron-rich Pyroxy ligand is essential for achieving both high reaction efficiency and enantioselectivity.

关键词： nickel alkenylation asymmetric cross-coupling alkenes

CO2-mediated bicarbonate conversion to concentrated formate in a Cem-based electrolyzer

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Journal of energy Chemistry 2025年第1期100卷 605-611页

作者： Haocheng Xiong Donghuan Wu Haonan Li Andrew Li Qikun Hu Siyao Song Bingjun Xu Qi Lu State key laboratory of Chemical engineering Department of Chemical Engineering Tsinghua University College of Chemistry and molecular engineering Peking University Ordos laboratory

Renewable energy-driven bicarbonate conversion to valuable chemicals presents an attractive strategy for mitigating CO2emissions,as bicarbonate can be efficiently generated from the capture of atmospheric CO2using alkaline solutions with reactive *** this work,we present a CO2-mediated bicarbonate conversion to pure formate using a cation exchange membrane-based electrolyzer with a 25 cm2electrode *** electrolysis achieved selectivities exceeding 75%for formate at a total current of 2.5 A,achieving formate concentrations up to 1.2 m and yields as high as 95%over extended *** techno-economic assessment confirmed the economic viability of the process,highlighting the potential for bicarbonate electrolysis as a sustainable method for producing valuable chemicals.

关键词： electrocatalysis Techno-economic assessments electrochemistry Flow electrolyzer

Deciphering fungal metabolon coupling tandem inverse-electrondemand Diels-Alder reaction and semipinacol rearrangement for the biosynthesis of spiro polycyclic alkaloids

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Science China Chemistry 2025年第1期68卷 288-296页

作者： Shuai Liu Wen-Qiang Xu Ying-Tong Di man-Cheng Tang Ding-Kang Chen ming-ming Cao Yao-Wen Chang Hong-Yu Tang Chun-mao Yuan Jun-Bo Yang Zhi-Li Zuo Han Guo Zi-Fei Xu Ying Zeng Yun-Dong Wu Xiao-Jiang Hao key laboratory of Phytochemistry and Natural medicines (Chinese Academy of Sciences) Kunming Institute of Botany Chinese Academy of Sciences University of Chinese Academy of Sciences Lab of Computational Chemistry and Drug Design State Key Laboratory of Chemical Oncogenomics Peking University Shenzhen Graduate School Shenzhen Bay laboratory State key laboratory of microbial metabolism School of Life Sciences & Biotechnology Shanghai Jiao Tong University State key laboratory of Functions and Applications of medicinal Plants Guizhou Medical University molecular Biology experimental Center Germplasm Bank of Wild Species in Southwest China Kunming Institute of Botany Chinese Academy of Sciences Yunnan key laboratory for Wild Plant Resources Kunming Institute of Botany Chinese Academy of Sciences Research Unit of Chemical Biology of Natural Anti-Virus Products Chinese Academy of Medical Sciences

In the intricate process of natural product biosynthesis, a metabolon can enhance metabolic flux by associating sequential enzymes. A fungal metabolon, comprising of flavin-dependent monooxygenase Spe F and P450 monooxygenase Spe G, is identified in the biosynthesis of spiro polycyclic alkaloids(+)-notoamide B and its diastereomer(+)-versicolamide B. Using notoamide e as a substance, Spe F/Spe G metabolon can control the stereoselectivity of its 2,3-epoxidation, followed by hydrogen atom ion at C-17 to generate reactive epoxide tau-m A with dienyl iminium unit. Subsequently,(+)-notoamide B and(+)-versicolamide B are produced via tandem nonenzymatic inverse-electron-demand Diels-Alder reaction and semipinacol rearrangement. This provides the first example of metabolon in the biosynthesis of spiro-prenylated indole alkaloids.

关键词： metabolon Diels-Alder reaction semipinacol rearrangement biosynthesis notoamides spiro polycyclic alkaloids

Distributed optimal consensus control for multiagent systems based on event-triggered and prioritized experience replay strategies

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Science China(Information Sciences) 2025年第1期68卷 306-321页

作者： Cuijuan ZHANG Lianghao JI Shasha YANG Xing GUO Huaqing LI Chongqing key laboratory of Image Cognition Chongqing University of Posts and Telecommunications key laboratory of Intelligent Perception and Computing of Anhui Province Anqing Normal University College of electronic and Information engineering Southwest University

This study uses event-triggered(eT) and reinforcement learning methods to investigate the optimal consensus control problem for cooperative-competitive multiagent systems. It proposes a novel distributed eT control strategy, which relies on a prioritized experience replay(PeR) policy. This strategy not only conserves communication resources but also ensures acceptable system performance. To implement the proposed method, actor-critic(AC) dual-structured neural networks(NNs) are used to approximate the value function and control policy. In the AC NNs, the weight estimates for the NNs are updated at the moment of event triggering, resulting in a nonperiodic weight adjustment pattern. This approach decreases the computational cost in comparison with the traditional eT mechanism. The PeR-based eT mechanism makes full use of valid historical data and effectively establishes a balance between system performance and communication resource ***, it does not require the following two conditions in most existing studies:(1) requirement of the system dynamics model to be known, and(2) persistent excitation. In addition, Zeno behavior is excluded from this study. Finally, a simulation is conducted to confirm the validity of the suggested approach.

关键词： multiagent systems event-triggered mechanism prioritized experience replay dual-structured neural networks optimal consensus control

Double [5]carbohelicene: facile synthesis, chiroptical properties,isomerization study, and lasing application

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Science China Chemistry 2025年第1期68卷 233-240页

作者： Peipei Liu Yantong Li meng-Xiang Wu Hao Kang Xiao-Li Zhao Lin Xu Linlin Liu Xiaodong Li Junfeng Fang Zhiwei Fang Ya Cheng Hai-Bo Yang Huakang Yu Xueliang Shi State key laboratory of Petroleum molecular & Process engineering Shanghai Key Laboratory of Green Chemistry and Chemical ProcessesSchool of Chemistry and Molecular Engineering East China Normal University School of Physics and Optoelectronics South China University of Technology Institute of Polymer Optoelectronic materials & Devices State Key Laboratory of Luminescent Materials & Devices South China University of Technology School of Physics and electronic Science Engineering Research Center of Nanophotonics & Advanced Instrument Ministry of EducationEast China Normal University State key laboratory of Precision Spectroscopy School of Physics and Electronic Science East China Normal University

Double carbohelicenes have attracted considerable attention due to their aesthetic structures, distinct π-conjugation extension, inherent chirality, and intriguing optical and electronic properties. Herein, the concise de novo synthesis of a new double[5]carbohelicene 1 together with its chiroptical properties, isomerization process and lasing application is presented. 1 was synthesized by a simple protocol involving the formation of a 6,6′-bipentacene as the key intermediate. It is worth noting that1 existed as two diastereomers 1-PP/mm and 1-Pm, which were successfully isolated and unambiguously confirmed by Xray crystallography. The optical resolution of the racemic 1-PP/mm was successfully achieved by chiral-phase highperformance liquid chromatography（HPLC）, and 1-PP and 1-mm were characterized by circular dichroism. Interestingly, it was found that 1-PP/mm could be completely isomerized to 1-Pm upon heating, and the detailed thermodynamics and kinetics of the isomerization process were systematically investigated. 1-Pm exhibited deep-red luminescence with emission maximum at 723 nm and fluorescence quantum yield as high as 32.95%. Consequently, we can showcase the lasing application of 1-Pm by doping with epoxy resin to assemble a bottle microlaser spontaneously, which the lasing wavelength is 796.6 nm at a threshold of 0.8 m J cm-2. We believe that our studies, including the facile synthesis methodology, detailed isomerization studies, and lasing application, will shed some light on the design and synthesis of novel carbohelical systems with more functions.

关键词： double carbohelicene optical resolution organic laser isomerization X-ray diffraction

A mild, configurable, flexible CoNi-LDH（v）/Zn battery based on H-vacancy-induced reversible Zn2+ intercalation

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Journal of energy Chemistry 2025年第1期100卷 498-508页

作者： Xinyue Cheng Dingsheng Wu Hao Gao Qingqing Wang Pengfei Lv Sam S.Yoon Qufu Wei key laboratory of eco-textiles Ministry of Education Jiangnan University School of mechanical engineering Korea University

Flexible Zn-based batteries have attracted increasing research interest as essential components of wearable energy storage ***,the advancement of flexible aqueous Zn-based batteries based on Co-Ni layered double hydroxide （CoNi-LDH） as the cathode material is hampered by their poor cycling stability and the corrosiveness of alkaline ***,CoNi-LDH nanosheets enriched with H vacancies (CoNi-LDH（v）) were constructed on a flexible carbon cloth （CC） substrate via electrochemical deposition and *** Zn-based battery comprising CoNi-LDH（v）@CC as the cathode exhibited highly reversible conversion reactions and stable operation in 3 m ZnSO4electrolyte （pH=4）.The battery delivered an excellent specific capacity (225 mA h g-1,0.26 mA h cm-2),acceptable cycling stability（53.9%,900 cycles）,and high discharging *** abundant H vacancies served as active sites for the reversible intercalation of Zn2+and the extravasation of NO3-generated channels and space for Zn2+transport and storage,together enabling an excellent Zn2+storage ***,a sandwich-structured solid-state CoNi-LDH（v）@CC//Zn@CC battery was fabricated and was found to exhibit a noteworthy electrochemical performance and mechanical *** a proof of concept,the unencapsulated battery powered a digital watch under various deformation conditions and operated stably for 80 ***,the flexible battery displayed outstanding customizability,maintaining an open-circuit voltage of 1.42 V even after being cut *** proposed engineering strategy contributes to the realization of textiles with truly wearable energy-storage devices.

关键词： CoNi/Zn battery H vacancies mild aqueous electrolyte Tailorable battery Wearable energy storage device