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Rational design and energy catalytic application of high-loading single-atom catalysts

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Rare Metals 2024年第10期43卷 4844-4866页

作者： Zi-wei Deng Yue liu Jie Lin Wen-Xing Chen Energy and Catalysis Center School of Materials Science and EngineeringBeijing Institute of Technology Ningbo Institute of Materials Technology and Engineering Chinese Academy of Science

It is well known that single-atom catalysts(SACs)have become a hot topic in the field of catalysis due to their advantages such as 100% metal atom utilization efficiency,high catalytic activity and selectivity compared with conventional catalysts and nanocatalysts. However, the isolated metal atoms on SACs have thermodynamic instability and tend to agglomerate, which limit their catalytic ***, it is of great significance to synthesize stable and high-loading single-atom catalysts(HLSACs). In this paper,we review the research progress of HLSACs from two aspects:design and application. Firstly, we comprehensively introduce the synthesis strategies of HLSACs, namely, top-down and bottom-up methods. Secondly, we overview the application status of HLSACs in three fields: electrocatalysis, thermal catalysis and photocatalysis. Finally, we summarize the development prospects and challenges of HLSACs.

关键词： Design Electrocatalysis High-loading single-atom catalysts Photocatalysis Thermal catalysis

A highly sensitive fluorescent HClO probe for discrimination between cancerous and normal cells/tissues

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Chinese Chemical Letters 2024年第6期35卷 417-420页

作者： Linfang Wang Jing liu Minghao Ren wei Guo Department of Chemistry Changzhi UniversityChangzhi 046011China School of Chemistry and Chemical Engineering Shanxi UniversityTaiyuan 030006China

Elevated level of hypochlorous acid(HClO)is closely associated with cancer *** HClO level in cancer cells would provide important evidence in either early-stage cancer diagnostics or monitoring of its treatment *** this work,a new pyronine-based fluorescent probe for rapid and sensitive detection of HClO was developed by condensing meso-formyl pyronine(PyCHO)with 2-hydrazinopyridine to form meso-pyridylhydrazone-functionalized pyronine PyHP,PyHP is nonfluorescent due to the excited-state C=N isomerization nonradiative decay,whereas the HClO-triggered formation of meso-triazolopyridyl pyronine PyTP abolishes the C=N isomerization and thus greatly enhances the *** the probe,the cancer cells/tumor were distinguished with high-contrast from normal ones by laser confocal fluorescence imaging,and the tumor-to-normal(T/N)ratios obtained exceed the clinically acceptable threshold of ***,its capability of in vivo imaging tumor was also *** results indicate the potential of PyHP as an effective tool in the early clinical diagnosis of cancers.

关键词： Meso-pyridylhydrazone-functionalized pyronine Meso-substituents Tumor-to-normal(T/N)ratios Fluorescent probes Hypochlorous acid

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Two-phase early prediction method for remaining useful life of lithium-ion batteries based on a neural network and Gaussian process regression

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Frontiers in Energy 2024年第4期18卷 447-462页

作者： Zhiyuan wei Changying liu Xiaowen SUN Yiduo LI Haiyan LU College of Instrumentation and Electrical Engineering Jilin UniversityChangchun 130021China College of Chemistry Jilin UniversityChangchun 130012China Changsha Automobile Innovation Research Institute of Jilin University Changsha 410006China

Lithium-ion batteries(LIBs)are widely used in transportation,energy storage,and other *** prediction of the remaining useful life(RUL)of lithium batteries not only provides a reference for health management but also serves as a basis for assessing the residual value of the *** order to improve the prediction accuracy of the RUL of LIBs,a two-phase RUL early prediction method combining neural network and Gaussian process regression(GPR)is *** the initial phase,the features related to the capacity degradation of LIBs are utilized to train the neural network model,which is used to predict the initial cycle lifetime of 124 *** Pearson coefficient’s two most significant characteristic factors and the predicted normalized lifetime form a 3D *** Euclidean distance between the test dataset and each cell in the training dataset and validation dataset is calculated,and the shortest distance is considered to have a similar degradation pattern,which is used to determine the initial Dual Exponential Model(DEM).In the second phase,GPR uses the DEM as the initial parameter to predict each test set’s early RUL(ERUL).By testing four batteries under different working conditions,the RMSE of all capacity estimation is less than 1.2%,and the accuracy percentage(AP)of remaining life prediction is more than 98%.Experiments show that the method does not need human intervention and has high prediction accuracy.

关键词： lithium-ion batteries RUL prediction double exponential model neural network Gaussian process regression(GPR)

SnO_(2)/metal organic complex composite derived from low-temperature activated metal organic complex for advanced lithium storage

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Rare Metals 2024年第7期43卷 3032-3043页

作者： Gui-Long liu Zi-Han Zhao Jin-Ke Shen Zi-Bo Zhao Nai-Teng Wu Dong-Lei Guo wei-wei Yuan Yong liu Ye-Hua Su Xian-Ming liu Luoyang Key Laboratory of Green Energy Materials College of Chemistry and Chemical EngineeringLuoyang Normal UniversityLuoyang 471934China School of Materials Science and Engineering Henan University of Science and TechnologyLuoyang 471023China Inner Mongolia Shijie Chemical Co. Ltd.Alxa League 737300

Sn-based metal organic complexes with coordination bonds,multi-active sites,and high theoretical capacity have attracted much attention as promising anodes for lithium ion ***,the low electrical conductivity and huge volume changes restricted their electrochemical stability and practical ***,Snbased anode with superior electrochemical performance,including a high reversible capacity of 1050.1 mAh·g^(-1)at 2 A·g^(-1)and a stable capacity of 1105.5 mAh·g^(-1)after 500 cycles at 1 A·g^(-1),was fabricated via a low-temperature calcination strategy from Sn metal organic *** low-temperature calcination process regulates Sn-O bond and prevents the agglomeration of SnO_(2),generating highly dispersed SnO_(2) decorated metal organic complexes and providing sufficient active sites for ion *** situ characterizations expound that the undecomposed Sn-based metal organic complexes could be transformed into SnO_(2) during lithiation and delithiation,which enhances the electrical conductivity and induces a strong pseudo-capacitive behavior,accelerating the electrochemical kinetics;the multiple solid electrolyte interface with inflexible LiF and flexible ROCO_(2)Li buffers the volume variation of the electrode,resulting in its high electrochemical *** work provides a simple strategy for preparing excellent Sn-based anodes from metal organic complexes and reveals the lithium storage mechanism of the prepared Snbased anode.

关键词： Metal organic complex Lithium ion battery Electrochemical activation Low-temperature activation Partial decomposition

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Porous block copolymer films with self-adjustable optical transmittance and passive radiative cooling

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Nano Research 2024年第9期17卷 8472-8478页

作者： Xue Meng weiming Tang Shuyun zhuo Jince Zhao Zixuan Ren Zhonghe Sun Hao Yan Tianyi Zhao Ziguang Zhao Mingjie liu School of Future Technology University of Chinese Academy of SciencesBeijing 100049China Key Laboratory of Bio-Inspired Smart Interfacial Science and Technology of Ministry of EducationSchool of ChemistryBeihang UniversityBeijing 100191China

As an energy-free cooling technique,radiative cooling has garnered significant attention in the field of energy ***,traditional radiative cooling films often possess static optical properties and their inherent opacity limits their applications in building such as ***,there exists a requirement for passive radiative cooling films endowed with adjustable *** we report the porous block copolymer films with self-adjustable optical transmittance and passive radiative *** a result,the film exhibited a high solar reflectance(0.3-2.5μm)of 96.9%and a high infrared emittance(8-13μm)of 97.9%.Outdoor experiments demonstrated that the film surface temperature was 6.6℃lower than ambient temperature,with a cooling power of 104.8 W·m^(-2).In addition,the film’s transmittance can be regulated by altering the polarity of the post-processing solvent,providing an effective approach for regulating indoor light intensity and thermal balance,thereby enhancing the applicability of radiative cooling.

关键词： passive radiative cooling block copolymer porous structure self-adjustable optical transmittance

Large Eddy Simulation of NO Formation in Non-Premixed Turbulent Jet Flames with Flamelet/Progress Variable Approach

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Journal of Thermal Science 2024年第6期33卷 2399-2412页

作者： WAN Jiawei GUO Junjun wei Zhengyun JIANG Xudong liu Zhaohui State Key Laboratory of Coal Combustion School of Energy and Power EngineeringHuazhong University of Science and Technology (HUST) CCRC King Abdullah University of Science and Technology (KAUST)

To improve the NO modelling in turbulent flames,the flamelet/progress variable(FPV) model is extended by introducing NO mass fraction into the progress variable and incorporating an additional NO transport *** sets of flamelet databases are tabulated with progress variables based on major species and NO mass fraction,*** former is used for the acquisition of the main thermochemical variables,while the latter is employed for NO ***,an additional transport equation is solved to obtain the NO mass fraction,with the source term corrected using the scale similarity *** assessments are first conducted on laminar counterflow diffusion flames to identify lookup-related errors and assess the suitability of progress variable *** results show that the progress variables based on major species and NO could correctly describe the main thermochemical quantities and NO-related variables,***,the model is applied to the large eddy simulation(LES) of Sandia *** results indicate that the extended FPV model improves the NO prediction,with a mean error for NO prediction at 55%,significantly lower than those of existing FPV models(130% and 385%).The LES with the extended FPV model quantitatively captures NO suppression in the mid-range of Reynolds numbers from 22 400(Flame D) to 33 600(Flame E),but underestimates the NO suppression at higher Reynolds numbers from 33 600 to 44 800(Flame F).This underprediction is primarily attributed to the underestimation of local extinction levels in flames with high Reynolds numbers.

关键词： flamelet/progress variable model large eddy simulation NO emission Sandia flames

Solvation strategies in various electrolytes for advanced zinc metal anode

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Journal of Energy Chemistry 2024年第7期94卷 740-757页

作者： Zhenxu Wang Lichong Bai Hongguang Fan Yanpeng Wang wei liu School of Materials Science and Engineering Ocean University of ChinaQingdao 266100ShandongChina

Aqueous zinc-ion batteries(AZIBs),known for their high safety,low cost,and environmental friendliness,have a wide range of potential applications in large-scale energy storage ***,the notorious dendrite growth and severe side reactions on the anode have significantly hindered their further practical *** studies have shown that the solvation chemistry in the electrolyte is not only closely related to the barriers to the commercialization of AZIBs,but have also sparked a number of valuable ideas to address the challenges of ***,we systematically summarize and discuss the regulatory mechanisms of solvation chemistry in various types of electrolytes and the influence of the solvation environment on battery *** challenges and future directions for solvation strategies based on the electrolyte environment are proposed to improve their performance and expand their application in AZIBs.

关键词： Solvation strategy Electrolyte Aqueous zinc-ion batteries Zinc dendrite

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Irrational-Behavior-Proof Conditions for Stochastic Games over Event Trees

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Journal of the Operations Research Society of China 2024年第1期12卷 243-263页

作者： Lei Wang Cui liu Hong-wei Gao Chong Lin School of Automation Institute of Complexity ScienceQingdao UniversityQingdao 266071ShandongChina School of Mathematics and Statistics Institute of Applied Mathematics of ShandongQingdao UniversityQingdao 266071ShandongChina

In this paper,the irrational-behavior-proof conditions in a class of stochastic dynamic games over event trees are *** kinds of irrational-behavior-proof conditions are proposed by the imputation distribution procedure,and their relationships are *** specific properties for the general transformation of characteristic functions are developed,based on which,the irrational-behavior-proof conditions are proved to be true in a transformed cooperative game.

关键词： Dynamic cooperative game Event tree Irrational-behavior-proof condition Imputation distribution procedure Transformation of characteristic function

Regularly Tuning Quantum Interference in Single-Molecule Junctions through Systematic Substitution of Side Groups with Varied Electron Effects

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Chinese Journal of Chemistry 2024年第11期42卷 1217-1222页

作者： Xianjing Xie Yirong Zhang Junrui Zhang Xingyuan Cui wei liu Xunshan liu Key Laboratory of Surface&Interface Science of Polymer Materials of Zhejiang Province School of Chemistry and Chemical EngineeringZhejiang Sci-Tech University928 Second StreetHangzhouZhejiang310018 China State Key Laboratory of Rare Earth Resource Utilization Changchun Institute of Applied ChemistryChinese Academy of SciencesChangchunJilin130022 China School of Materials Science and Engineering Nanjing University of Science and TechnologyNanjingJiangsu210094 China

Investigating the quantum interference effect in single molecules is essential to comprehensively understand the underlying mechanism of single-molecule charge *** this study,we employed the mother molecule m-OPE and introduced a series of side groups with various electronic effects at the 2-position of the central phenyl ring,creating four daughter m-OPE *** single molecular conductivities of these molecule wires were measured using the scanning tunneling microscope breaking junction *** findings demonstrate that the substitutions regularly modulate the destructive quantum interference occurring within the m-OPE *** combining optical and electrochemical investigations,along with density functional theory computations,we discover that the conductivity of the molecules corresponds to the electron-donating/withdrawing ability of the ***,by adjusting the electron structures of the molecular backbone,we can systematically tailor the destructive quantum interference in the m-OPE molecules.

关键词： Quantum interference Single-molecule junctions Electron effect substituents Charge transport Molecular devices