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Buried interface management via bifunctional NH_(4)BF_(4)towards efficient CsPbI_(2)Br solar cells with a V_(oc)over 1.4 V

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Journal of Energy Chemistry 2024年第2期89卷 364-370,I0009页

作者： Fazheng Qiu Ming-Hua Li Jinpeng Wu Jin-Song Hu School of Materials Science and engineering NingboTech UniversityNingbo 315100ZhejiangChina Beijing National Laboratory for Molecular sciences(BNLMS) Institute of ChemistryChinese Academy of SciencesBeijing 100190China College of Chemical engineering Beijing Advanced Innovation Center for Soft Matter Science and EngineeringBeijing University of Chemical TechnologyBeijing 100029China School of Chemical sciences University of Chinese Academy of SciencesBeijing 100049China

CsPbI_(2)Br perovskite solar cells(PSCs)have drawn tremendous attention due to their suitable bandgap,excellent photothermal stability,and great potential as an ideal candidate for top cells in tandem solar ***,the abundant defects at the buried interface and perovskite layer induce severe charge recombination,resulting in the open-circuit voltage(V_(oc))output and stability much lower than ***,a novel buried interface management strategy is developed to regulate interfacial carrier dynamics and CsPbI_(2)Br defects by introducing ammonium tetrafluoroborate(NH_(4)BF_(4)),thereby resulting in both high CsPbI_(2)Br crystallization and minimized interfacial energy ***,NH_(4)^(+)ions could preferentially heal hydroxyl groups on the SnO_(2)surface and balance energy level alignment between SnO_(2)and CsPbI_(2)Br,enhancing charge transport efficiency,while BF_(4)^(-)anions as a quasi-halogen regulate crystal growth of CsPbI_(2)Br,thus reducing perovskite ***,it is proved that eliminating hydroxyl groups at the buried interface enhances the iodide migration activation energy of CsPbI_(2)Br for strengthening the phase *** a result,the optimized CsPbI_(2)Br PSCs realize a remarkable efficiency of 17.09%and an ultrahigh V_(oc)output of 1.43 V,which is one of the highest values for CsPbI_(2)Br PSCs.

关键词： Inorganic perovskite Buried interface Defect Stability Open-circuit voltage loss

Facilitated Prediction of Micropollutant Degradation via UV-AOPs in Various Waters by Combining Model Simulation and Portable Measurement

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engineering 2024年第6期37卷 87-95页

作者： Yanyan Huang Mengkai Li Zhe Sun Wentao Li James R.Bolton Zhimin Qiang Key Laboratory of Drinking Water Science and Technology Research Center for Eco-Environmental SciencesChinese Academy of SciencesBeijing 100085China University of Chinese Academy of sciences Beijing 100049China Department of Civil and Environmental engineering University of AlbertaEdmontonAB T6G 1H9Canada State Key Laboratory of Environmental Aquatic Chemistry Research Center for Eco-Environmental SciencesChinese Academy of SciencesBeijing 100085China

The degradation of micropollutants in water via ultraviolet(UV)-based advanced oxidation processes(AOPs)is strongly dependent on the water *** reactive radicals(RRs)formed in UV-AOPs have different reaction selectivities toward water matrices and degradation efficiencies for target ***,process selection and optimization are *** study developed a facilitated prediction method for the photon fluence-based rate constant for micropollutant degradation(K′_(p,MP))in various UV-AOPs by combining model simulation with portable *** methods for measuring the scavenging capacities of the principal RRs(RRSCs)involved in UV-AOPs(i.e.,HO^(·),SO_(4)^(·-),and Cl^(·))using a mini-fluidic photoreaction system were *** simulation models consisted of photochemical,quantitative structure–activity relationship,and radical concentration steady-state approximation *** RRSCs were determined in eight test waters,and a higher RRSC was found to be associated with a more complex water ***,by taking sulfamethazine,caffeine,and carbamazepine as model micropollutants,the k′_(p,MP) values in various UV-AOPs were predicted and further verified experimentally.A lower k′_(p,MP) was found to be associated with a higher RRSC for a stronger RR competition;for example,k′_(p,MP) values of 130.9 and 332.5 m^(2) einstein^(–1),respectively,were obtained for carbamazepine degradation by UV/H_(2)O_(2) in the raw water(RRSC=9.47×10^(4) s^(-1))and sand-filtered effluent(RRSC=2.87×10^(4) s^(-1))of a drinking water treatment *** developed method facilitates process selection and optimization for UV-AOPs,which is essential for increasing the efficiency and cost-effectiveness of water treatment.

关键词： UV-AOPs Micropollutant degradation Reactive radicals Water matrix Model simulation

Tribological study of two ammonium chloride-decanoic acid deep eutectic solvents(DESs)as high-performance lubricants

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Friction 2024年第11期12卷 2441-2457页

作者： Zhuocheng LI Enhui ZHANG Weimin LI Haichao LIU State Key Laboratory of Solid Lubrication Lanzhou Institute of Chemical PhysicsChinese Academy of SciencesLanzhou 730000China center of Materials Science and Optoelectronics engineering University of Chinese Academy of SciencesBeijing 100049China Zibo Innovation center of High-End Synthetic Lubricating Materials Zibo 255000China

Deep eutectic solvents(DESs)are acknowledged as a novel class of functional *** share similar physical properties with ionic liquids(ILs)and have the potential to be a novel class of *** this study,two DESs,namely tetrabutylammonium chloride-decanoic acid DES(C4-DES)and methyl tricaprylmethylammonium chloride-decanoic acid DES(C8-DES),were synthesized,and their physico-chemical properties and tribological performances were ***-analysis of the rubbing surfaces used multiple techniques to gain insights into the lubrication *** show that the coefficient of friction(COF)and wear were reduced by approximately 29%and 91%for the C4-DES,and 36%and 94%for the C8-DES,compared to an ester base *** friction reduction behavior of the DESs is attributed to the monolayer adsorption of the polar group in the decanoic acid(DEAC),whose effectiveness is affected by the component of the ammonium salts in the DESs and the operating *** addition to the adsorbed film,worn surface analysis revealed that an ultra-thin tribochemical film with a thickness of 3–7 nm was formed on the surfaces lubricated with the *** composition of the film was studied,and the lubrication mechanisms of the two DESs were discussed.

关键词： deep eutectic solvent(DES) lubricants tribological performance boundary lubrication

Cationic ordering transition in oxygen-redox layered oxide cathodes

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Carbon Energy 2024年第1期6卷 197-206页

作者： Xinyan Li Ang Gao Qinghua Zhang Hao Yu Pengxiang Ji Dongdong Xiao Xuefeng Wang Dong Su Xiaohui Rong Xiqian Yu Hong Li Yong-Sheng Hu Lin Gu Beijing National Laboratory for Condensed Matter Physics Institute of PhysicsChinese Academy of SciencesBeijingChina College of Materials Science and Opto-Electronic Technology University of Chinese Academy of SciencesBeijingChina Beijing National center for Electron Microscopy and Laboratory of Advanced Materials School of Materials Science and EngineeringTsinghua UniversityBeijingChina Beijing Advanced Innovation center for Materials Genome engineering Huairou DivisionInstitute of PhysicsChinese Academy of SciencesBeijingChina

Understanding the structural origin of the competition between oxygen 2p and transition-metal 3d orbitals in oxygen-redox(OR)layered oxides is eminently desirable for exploring reversible and high-energy-density Li/Na-ion ***,we reveal the correlation between cationic ordering transition and OR degradation in ribbon-ordered P3-Na_(0.6)Li_(0.2)Mn_(0.8)O_(2) via in situ structural *** two different voltage windows,the OR capacity can be improved approximately twofold when suppressing the in-plane cationic ordering *** find that the intralayer cationic migration is promoted by electrochemical reduction from Mn^(4+)to Jahn–Teller Mn^(3+)and the concomitant NaO_(6) stacking transformation from triangular prisms to octahedra,resulting in the loss of ribbon ordering and electrochemical ***-principles calculations reveal that Mn^(4+)/Mn^(3+)charge ordering and alignment of the degenerate eg orbital induce lattice-level collective Jahn–Teller distortion,which favors intralayer Mn-ion migration and thereby accelerates OR *** findings unravel the relationship between in-plane cationic ordering and OR reversibility and highlight the importance of superstructure protection for the rational design of reversible OR-active layered oxide cathodes.

关键词： cationic ordering layered oxide cathodes oxygen redox sodium-ion batteries

Microfluidic thermotaxic selection of highlymotile sperm and in vitro fertilization

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Bio-Design and Manufacturing 2024年第5期7卷 687-700页

作者： Sihan Chen Jiemin Chen Zihan Qin Jibo Wang Yuwen Wang Rong Liu Wen Zhao Ming Zhang Yuanzhen Zhang Mengcheng Luo Pu Chen Tissue engineering and Organ Manufacturing(TEOM)Lab Department of Biomedical EngineeringTaiKang Medical School(School of Basic Medical Sciences)Wuhan UniversityWuhan 430071China Hubei Provincial Key Laboratory of Developmentally Originated Disease TaiKangMedical School(School of Basic Medical Sciences)Wuhan UniversityWuhan 430071China Reproductive Medicine center Zhongnan Hospital of Wuhan UniversityWuhan 430071China TaiKang center for Life and Medical sciences Wuhan UniversityWuhan 430071China

The selection of the most motile and functionally competent sperm is an essential basis for in vitro fertilization(IVF)and normal embryonic *** adopted clinical approaches for sperm sample processing intensely rely on centrifugation and wash steps that may induce mechanical damage and oxidative stress to *** a few microfluidic sperm sorting devices may avoid these adverse effects by exploiting intrinsic guidance mechanisms of sperm swimming,none of these approaches have been fully validated by clinical-grade assessment *** this study,a microfluidic sperm sorting device that enables the selection of highly motile and functional sperm via their intrinsic thermotaxis is *** by the temperature microenvironment in the fallopian tube during natural sperm selection,a microfluidic device with controllable temperature gradients along the sperm separation channel was designed and *** study investigated the optimal temperature conditions for human sperm selection and fully characterized thermotaxis-selected sperm with 45 human sperm *** indicated that a temperature range of 35–36.5℃along the separation channel significantly improves human sperm motility rate((85.25±6.28)%vs.(60.72±1.37)%;P=0.0484),increases normal sperm morphology rate((16.42±1.43)%vs.(12.55±0.88)%;P<0.0001),and reduces DNA fragmentation((7.44±0.79)%vs.(10.36±0.72)%;P=0.0485)compared to the nonthermotaxis *** thermotaxis is species-specific,and selected mouse sperm displayed the highest motility in response to a temperature range of 36–37.5℃ along the separation ***,IVF experiments indicated that the selected sperm permitted an increased fertilization rate and improved embryonic development from zygote to *** microfluidic thermotaxic selection approach will be translated into clinical practice to improve the IVF success rate for patients with oligozoospermia and asthenozoospermia.

关键词： Microfluidic device Thermotaxis Sperm sorting Assisted reproductive technology In vitro fertilization

In-Situ Atomic-Scale Observation of Brownmillerite to Ruddlesden-Popper Phase Transition Tuned by Epitaxial Strain in Cobaltites

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Chinese Physics Letters 2024年第4期41卷 152-158页

作者：林挺高昂汤哲歆林炜光孙慕华张庆华王雪锋郭尔佳谷林 Beijing National Laboratory for Condensed Matter Physics Institute of PhysicsChinese Academy of SciencesBeijing 100190China School of Physical sciences University of Chinese Academy of ScienceBeijing 100049China Beijing National center for Electron Microscopy and Laboratory of Advanced Materials Department of Materials Science and EngineeringTsinghua UniversityBeijing 100084China Department of Physics&center of Materials Science and Optoelectronics engineering University of Chinese Academy of SciencesBeijing 100049China

Phase transitions involving oxygen ion extraction within the framework of the crystallographic relevance have been widely exploited for sake of superconductivity,ferromagnetism,and ion conductivity in perovskiterelated ***,atomic-scale pathways of phase transitions and ion extraction threshold are inadequately *** we investigate the atomic structure evolution of LaCoO_(3) films upon oxygen extraction and subsequent Co migration,focusing on the key role of epitaxial *** brownmillerite to Ruddlesden-Popper phase transitions are discovered to stabilize at distinct crystal orientations in compressive-and tensile-strained cobaltites,which could be attributed to in-plane and out-of-plane Ruddlesden-Popper stacking faults,respectively.A two-stage process from exterior to interior phase transition is evidenced in compressive-strained LaCoO_(2.5),while a single-step nucleation process leaving bottom layer unchanged in tensile-strained *** analyses reveal that the former process is initiated by an expansion in Co layer at boundary,whereas the latter one is associated with an edge dislocation combined with antiphase *** findings provide a chemomechanical perspective on the structure regulation of perovskite oxides and enrich insights into strain-dependent phase diagram in epitaxial oxides films.

关键词： strained Phase oxides

Ni-Catalyzed Enantioselective Difunctionalization of Alkynes to Azepine Derivatives Bearing a Quaternary center and an Unprotected Imine

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Chinese Journal of Chemistry 2024年第8期42卷 873-878页

作者： Jian Long Zhiwu Lu Xiao-Lin Li Peng Xue Wen-Bo Liu engineering Research center of Organosilicon Compounds&Materials(Ministry of Education)and College of Chemistry and Molecular sciences Wuhan UniversityWuhanHubei430072 China

Comprehensive Summary,The azepine ring is a prominent structural scaffold in biologically significant molecules. In this study, we present a Ni(II)-catalyzed asymmetric difunctionalization of alkynes, involving intermolecular regioselective arylation and intramolecular nitrile addition, enabling the synthesis of enantioenriched azepine derivatives. This reaction simultaneously installs an all-carbon quaternary stereocenter and introduces an unprotected imine functionality, showing great promise for subsequent transformations. The reaction exhibits good tolerance toward various functional groups, resulting in high yields and enantioselectivities. The synthetic utility of this methodology is further demonstrated through gram-scale synthesis and product derivatization. This research offers an efficient approach to the synthesis of seven-membered nitrogen heterocycles.

关键词： Nickel Asymmetric catalysis N-Heterocycles Alkyne functionalization Quaternary centers

VOC emitted by biopharmaceutical industries:Source profiles,health risks,and secondary pollution

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Journal of Environmental sciences 2024年第1期135卷 570-584页

作者： Jiawei Ma Lin Li State Key Laboratory of Environmental Aquatic Chemistry Research Center for Eco-Environmental SciencesChinese Academy of SciencesBeijing 100085China University of Chinese Academy of sciences Beijing 100049China National engineering Laboratory for VOCs Pollution Control Material&Technology University of Chinese Academy of SciencesBeijing 101408China

The biopharmaceutical industry contributes substantially to volatile organic compounds(VOCs)emissions,causing growing concerns and social developmental *** study conducted an on-site investigation of the process-based emission of VOCs from three biopharmaceutical *** the workshops of the three enterprises,26 VOCs were detected,which could be sorted into 4 classes:hydrocarbons,aromatic hydrocarbons,oxygen-containing compounds,and nitrogen-containing *** were the main components of waste gases,accounting for 44.13%-77.85%of the overall ***-based source profiles were compiled for each process unit,with the fermentation and extraction units of tiamulin fumarate being the main source of VOC *** heptanone,vinyl acetate,diethylamine,propylene glycol methyl ether(PGME),and benzene were screened as priority pollutants through a fuzzy comprehensive evaluation *** level concentration simulation results of the Gauss plume diffusion model demonstrated that the diffusivity of VOCs in the atmosphere was relatively high,indicating potential non-carcinogenic and carcinogenic risks 1.5-2 km ***,the process-based formation potentials of ozone and secondary organic aerosols(SOAs)were determined and indicated that N-methyl-2-pyrrolidone,dimethyl heptanone,and PGME should be preferentially controlled to reduce the ozone formation potential,whereas the control of benzene and chlorobenzene should be prioritized to reduce the generation of *** results provide a basis for understanding the characteristics of VOC emission by biopharmaceutical industries and their diffusion,potentially allowing the development of measures to reduce health risks and secondary pollution.

关键词： Biopharmaceutical Volatile organic compound Priority pollutant Exposure risk Secondary pollution

Synergically regulated silver species and surface oxygen on manganese oxide for promoted activity of formaldehyde oxidation

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Journal of Environmental sciences 2024年第4期138卷 709-718页

作者： Shuo Hu Jianghao Zhang Xueyan Chen Xiaoxiao Qin Jinshui Yao Changbin Zhang School of Materials Science&engineering Qilu University of Technology(Shandong Academy of Sciences)Jinan 250353China State Key Joint Laboratory of Environment Simulation and Pollution Control Research Center for Eco-Environmental SciencesChinese Academy of SciencesBeijing 100085China University of Chinese Academy of sciences Beijing 100049China

Formaldehyde(HCHO)is a common indoor pollutant that is detrimental to human *** efficient removal has become an urgent demand to reduce the public health *** this work,Ag-MnO_(x)-based catalysts were prepared and activated under different atmosphere(i.e.,air,hydrogen(H_(2))and carbon monoxide(CO))for efficient oxidation of *** catalyst activated with CO(Ag/Mn-CO)displayed the highest activity among the tested samples with 90% conversion at 100℃ under a gas space velocity of 75,000 mL/(g_(cat)·hr).Complementary characterizations demonstrate that CO reduction treatment resulted in synergically regulated content of surface oxygen on support to adsorb/activate HCHO and size of Ag particle to dissociate oxygen to oxidize the adsorbed *** contrast,other catalysts lack for either abundant surface oxygen species or metallic silver with the appropriate particle size,so that the integrate activity is limited by one specific reaction *** study contributes to elucidating the mechanisms regulating the oxidation activity of Ag-based catalysts.

关键词： HCHO oxidation Ag-MnO_(x)-based catalyst Activation condition Synergic regulation Surface oxygen Oxidized Ag