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Journal of Energy Chemistry 2025年第1期100卷 509-521页

作者： Xinyuan Wang Fan Zhang Xingyu Zhou Qian Wang Changyu Liu Yangyang Liu Hui Wang Xiaojie Liu Key Laboratory of Synthetic and Natural Functional Molecule of the Ministry of Education College of Chemistry & Materials Science Northwest University

Na3V2（PO4）2O2F （VP） is recognized as a promising cathode material for sodium-ion batteries due to its stable structural framework and high specific *** functional theory （DFT） and finite element simulations show that incorporating SO42-into VP decreases its band gap,lowers the migration energy barrier,and ensures a uniform Na+concentration gradient and stress distribution during charge and discharge ***,the average Na+diffusion coefficient of Na3V2（PO4）1.95（SO4）0.05O2F（VPS-1） is roughly double that of VP,leading to enhanced rate capability (80 C,75.5 mAh g-1) and cycling stability (111.0 mAh g-1capacity after 1000 cycles at 10 C current density) for ***-1 exhibits outstanding fast-charging capabilities,achieving an 80%state of charge in just 8.1 *** assembled VPS-1//SbSn/NPC full cell demonstrated stable cycling over 200 cycles at a high 5 C current,maintaining an average coulombic efficiency of 95.35%.

关键词： Anionic group modulation Polarization behavior Fast-charging Sodium-ion battery Fluorophosphate Cathode

Modular assembly of complex C-alkyl glycoside enabled via cooperative NHC and photoredox catalysis

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Science China Chemistry 2025年

作者： Rui-Qiang Jiao Ming Li Xi Chen Mei-Ze Xu Tian Ding Xiao-Ping Gong Zhuo-Mei Li Xue-Yuan Liu Yong-Min Liang State Key Laboratory of Applied Organic Chemistry Lanzhou University college of Chemistry and Chemical Engineering Northwest Normal University

C-Alkyl glycosides are found in natural products and are indispensable in drug development programs,owing to their diverse range of medicinal ***-component reactions involving glycosyl radical addition are well documented and proved efficient for the C-alkyl glycosides ***,multicomponent reactions for the rapid and controllable construction of structurally diversified C-alkyl glycosides in a single step remains a significant challenge due to the issues associated with balancing reactivity,compatibility,and ***,we report an NHC and photoredox co-catalyzed three-component method to access complex and valuable C-alkyl *** protocol exhibits broad substrate scope and excellent chemoand ***,nine types of sugars are compatible with this *** addition,the generality of this catalytic strategy was further highlighted by the potential for scalable production,the feasibility of further modifications of the products and its successful application in the late-stage functionalization of pharmaceutical skeletons.

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Imidazolium-based ionic polymers for fast and efficient anion-exchange driven capture of Cr2O72-

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Science China Chemistry 2025年

作者： Yishou Wang Xiaonan Yuan Xingxing Gou Xiatian Song Xiaogang Wang Ling Guo Yanfeng Liu Chengfang Qiao Chunsheng Zhou Yingfeng Han Shaanxi Key Laboratory of Comprehensive Utilization of Tailings Resources Shaanxi Engineering Research Center for Mineral Resources Clean & Efficient Conversion and New Materials College of Chemical Engineering and Modern Materials Shangluo University Key Laboratory of Synthetic and Natural Functional Molecule Chemistry of the Ministry of Education Xi'an Key Laboratory of Functional Supramolecular Structure and Materials College of Chemistry and Materials Science Northwest University

The pervasive issue of chromium（VI） contamination,particularly in dichromate (Cr2O2-7),resulting from unchecked industrial growth and inadequate waste management,remains a pressing concern that demands immediate and dedicated ***,we present two novel imidazolium-based ionic polymers （ImIPs）.The ImIPs boast a highly cationic structure rich in bromide（Br-） ions and exhibit remarkable porosity,facilitating the easy exchange of these ions for chromate (Cr2O2-7) through anion *** unique combination leads to exceptional performance,including a high adsorption capacity （423 mg/g）,rapid adsorption rate (75 mg g-1min-1),and a broad operational pH range （2–12）.Moreover,our material demonstrates remarkable reusability,maintaining its efficacy even after 10 cycles without significant loss of *** mechanistic studies underscore the role of ion-exchange chemistry in effectively removing dichromate by the presented ImIPs,providing strong evidence for their suitability as a robust solution to address the ongoing challenges in water *** findings represent a crucial step in developing advanced materials for tackling chromium（VI） pollution.

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A surface engineering strategy for the stabilization of zinc metal anodes with montmorillonite layers toward long-life rechargeable aqueous zinc ion batteries

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Journal of Energy Chemistry 2025年第1期100卷 94-105页

作者： Wenbo Wang Ruifeng Xu Xu Zhang Peiyu Wang Bao Yang Bingjun Yang Juan Yang Kailimai Su Pengjun Ma Yanan Deng Xianfeng Fan Wanjun Chen Key Laboratory for Electronic Materials College of Electrical Engineering Northwest Minzu University Resource Chemistry and Energy Materials Research Center State Key Laboratory of Solid Lubrication Lanzhou Institute of Chemical Physics Chinese Academy of Sciences University of Chinese Academy of Sciences Institute for Materials and Processes School of Engineering University of Edinburgh

Rechargeable aqueous zinc-ion batteries （AZIBs） exhibit appreciable potential in the domain of electrochemical energy ***,there are serious challenges for AZIBs,for instance zinc dendrite growth,hydrogen evolution reaction （HER）,and corrosion side ***,we propose a surface engineering modification strategy for coating the montmorillonite （MMT） layer onto the surface of the Zn anode to tackle these issues,thereby achieving high cycling stability for rechargeable *** results reveal that the MMT layer on the surface of the Zn anode is able to provide ordered zincophilic channels for zinc ions migration,facilitating the reaction kinetics of zinc *** functional theory（DFT） calculations and water contact angle （CA） tests prove that MMT@Zn anode exhibits superior adsorption capacity for Zn2+and better hydrophobicity than the bare Zn anode,thereby achieving excellent cycling ***,the MMT@Zn||MMT@Zn symmetric cell holds the stable cycling over 5600 h at 0.5 mA cm-2and 0.125 m A h cm-2,even exceeding 1800 h long cycling under harsh conditions of 5 m A cm-2and 1.25 m A h *** MMT@Zn||V2O5full cell reaches over 3000 cycles at 2 A g-1with excellent rate ***,this surface engineering modification strategy for enhancing the electrochemical performance of AZIBs represents a promising application.

关键词： Hydrogen evolution reaction

Interpretable Machine Learning Method for Compressive Strength Prediction and Analysis of Pure Fly Ash-based Geopolymer Concrete

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Journal of Wuhan university of Technology(Materials Science) 2025年第1期40卷 65-78页

作者： SHI Yuqiong LI Jingyi ZHANG Yang LI Li Key Laboratory of Agricultural Soil and Water Engineering in Arid and Semiarid Areas of Ministry of Education Northwest A&F Uni-versityYangling 712100China college of Water Resources and Architectural Engineering Northwest A&F UniversityYangling 712100China Chongqing Key Laboratory of Public Big Data Security Technology Chongqing 401420China Chongqing college of Mobile Communication Chongqing 401520China Department of Civil and Environmental Engineering The Hong Kong Polytechnic UniversityHung HomKowloonHong KongChina National Rail Transit Electrification and Automation Engineering Technology Research Center(Hong Kong Branch) The Hong Kong Polytechnic UniversityKowloonHung HomHong KongChina

In order to study the characteristics of pure fly ash-based geopolymer concrete(PFGC)conveniently,we used a machine learning method that can quantify the perception of characteristics to predict its compressive *** this study,505 groups of data were collected,and a new database of compressive strength of PFGC was *** order to establish an accurate prediction model of compressive strength,five different types of machine learning networks were used for comparative *** five machine learning models all showed good compressive strength prediction performance on *** them,R2,MSE,RMSE and MAE of decision tree model(DT)are 0.99,1.58,1.25,and 0.25,*** R2,MSE,RMSE and MAE of random forest model(RF)are 0.97,5.17,2.27 and 1.38,*** two models have high prediction accuracy and outstanding generalization *** order to enhance the interpretability of model decision-making,we used importance ranking to obtain the perception of machine learning model to 13 *** 13 variables include chemical composition of fly ash(SiO_(2)/Al_(2)O_(3),Si/Al),the ratio of alkaline liquid to the binder,curing temperature,curing durations inside oven,fly ash dosage,fine aggregate dosage,coarse aggregate dosage,extra water dosage and sodium hydroxide *** temperature,specimen ages and curing durations inside oven have the greatest influence on the prediction results,indicating that curing conditions have more prominent influence on the compressive strength of PFGC than ordinary Portland cement *** importance of curing conditions of PFGC even exceeds that of the concrete mix proportion,due to the low reactivity of pure fly ash.

关键词： machine learning pure fly ash geopolymer compressive strength feature perception

Metabolome and RNA-seq reveal discrepant metabolism and secretory metabolism profile in skeletal muscle between obese and lean pigs at different ages

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Science China Life Sciences 2025年

作者： Liu Guo Junfei Xu Wenyue Zhou Sisi Chen Hanjing Shi Mengmeng Han Zekun Yang Yehui Duan Weijun Pang Yulong Yin Fengna Li Laboratory of Animal Nutritional Physiology and Metabolic Process Key Laboratory of Agro-ecological Processes in Subtropical Region Institute of Subtropical Agriculture Chinese Academy of Sciences university of Chinese Academy of Sciences Laboratory of Animal Fat Deposition and Muscle Development College of Animal Science and Technology Northwest A&F University college of Advanced Agricultural Sciences University of Chinese Academy of Sciences

Metabolites and metabolism-related gene expression profiles in skeletal muscle change dramatically under obesity, aging and metabolic disease. Since obese and lean pigs are ideal models for metabolic research. Here, we compared metabolome and transcriptome of Longissimus dorsi(LD) muscle between Taoyuan black(TB, obese) and Duroc(lean) pigs at different ages. We defined the “window phase” of intramuscular fat(IMF) deposition in TB pig, which has significantly higher IMF than Duroc pig. Our results displayed discrepant lipid composition and different expression genes(DEGs) enriched in lipid metabolism, and both metabolome and transcriptome analyses revealed stronger energy expenditure and more active amino acid and protein metabolism in Duroc pig. 10 up-and 51 down-regulated biomarker metabolites with age-and breed-specificity were identified. Potential secretory metabolites, including organic acid(fumaric acid, succinate,malic acid, and gamma-aminobutyric acid), amino acid(L-lysine, and L-glutamic acid), lipid(2-hydroxyisovaleric acid, and L-carnitine) were demonstrated a significant correlation with IMF deposition. Our research highlights the huge difference of metabolic spectrum in skeletal muscle between obese and lean model and muscle-derived secretory metabolites might act as an ambassador of intercellular communication to regulate systematic metabolism.

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Recent Advances in Fibrous Materials for Hydroelectricity Generation

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Nano-Micro Letters 2025年第2期17卷 109-133页

作者： Can Ge Duo Xu Xiao Feng Xing Yang Zheheng Song Yuhang Song Jingyu Chen Yingcun Liu Chong Gao Yong Du Zhe Sun Weilin Xu Jian Fang college of Textile and Clothing Engineering Soochow UniversitySuzhou 215123People’s Republic of China National Engineering Laboratory for modern Silk Soochow UniversitySuzhou 215123People’s Republic of China State Key Laboratory of New Textile Materials and Advanced Processing Technologies Wuhan Textile UniversityWuhan 430200People’s Republic of China Institute of Functional Nano&Soft Materials(FUNSOM) Soochow UniversitySuzhou 215123People’s Republic of China Department of Electrical and Computer Engineering University of MassachusettsAmherstMA 01003USA Department of Materials Imperial College LondonSouth Kensington CampusLondon SW72AZUK college of Textile Science and Engineering Zhejiang Sci-Tech UniversityHangzhou 310018People’s Republic of China School of Materials Science and Engineering Shanghai Institute of Technology100 Haiquan RoadShanghai 201418People’s Republic of China

Depleting fossil energy sources and conventional polluting power generation pose a threat to sustainable *** generation from ubiquitous and spontaneous phase transitions between liquid and gaseous water has been considered a promising strategy for mitigating the energy *** materials with unique flexibility,processability,multifunctionality,and practicability have been widely applied for fibrous materials-based hydroelectricity generation(FHG).In this review,the power generation mechanisms,design principles,and electricity enhancement factors of FHG are first ***,the fabrication strategies and characteristics of varied constructions including 1D fiber,1D yarn,2D fabric,2D membrane,3D fibrous framework,and 3D fibrous gel are ***,the advanced functions of FHG during water harvesting,proton dissociation,ion separation,and charge accumulation processes are analyzed in ***,the potential applications including power supply,energy storage,electrical sensor,and information expression are also ***,some existing challenges are considered and prospects for future development are sincerely proposed.

关键词： Hydroelectricity Fibrous material Streaming potential Ion diffusion

Density functional theory study of neutral AlS_n(n=2-9) clusters

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Chinese Physics B 2011年第3期20卷 135-142页

作者：李听昕王林王飞陈军姜振益李莉莎 Institute of modern Physics Northwest University Department of Physics Northwest University

This paper investigates the geometrical structures and relative stabilities of neutral A1Sn （n=2-9） using the density functional theory. Structural optimisation and frequency analysis are performed at the B3LYP/6-311C（d） level. The ground state structures of the A1Sn show that the sulfur atoms prefer not only to evenly distribute on both sides of the aluminum atom but also to form stable structures in AlSn clusters. The structures of pure Sn are fundamentally changed due to the doping of the Al atom. The fragmentation energies and the second-order energy differences are calculated and discussed. Among neutral AlSn （n = 2-9） clusters, AlS4 and AlS6 are the most stable.

关键词： aluminum sulfur clusters density functional theory structure and stability energy

Drinfeld twist and the domain wall partition function of the eight-vertex model

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Chinese Physics B 2011年第1期20卷 110-120页

作者：郝昆陈曦石康杰杨文力 Institute of modern Physics Northwest University

With the help of the F-basis provided by the Drinfeld twist or factorising F-matrix for the spatial optical soliton model associated with the eight-vertex model, we calculate the partition function for the eight-verte... 详细信息

关键词： eight-vertex model domain wall boundary condition Drinfeld twist

Quantum Chemical Study of Geometric Structures and Properties for Ag_nH_2S(n = 1～10) Clusters

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Chinese Journal of Structural Chemistry 2015年第10期34卷 1487-1495页

作者：温俊青徐卫锋刘柯阳陈国祥文振翼 college of Science Xi'an Shiyou University Institute of modern Physics Northwest University

The stable structures and stabilities of AgnH2S（n = 1-10） clusters have been calculated using the B3P86-DFT method. The results predicate that the stable geometries of AgnH2 S clusters can be got by directly adding the H2 S molecule on different sites of Agn clusters. Agn clusters would like to bond with sulfur atom and the H2 S molecules are partial to adsorb at the top site in the clusters. After adsorption, the structures of Agn clusters and H2 S molecule keep the original structures except Ag9. The binding energy of AgnH2 S is distinctly larger than that of pure Agn clusters. The second difference in energy and the HOMO and LUMO gaps of Agn and AgnH2 S exhibit an obvious odd-even oscillation, which demonstrate that the stabilities of even-numbered silver clusters are relatively more stable than the neighboring odd-numbered silver clusters. Mulliken population analysis shows that charges always transfer from the H2 S molecule to Agn clusters in all clusters.

关键词： density functional theory AgnH2S(n = 1-10) clusters structures stabilities