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Journal of Energy Chemistry 2025年第1期100卷 348-355页

作者： Guoqiang Ma Qin Tan Zhaoning Li Jingwei Xiu Jiafeng Wang Tianle Cheng Dong He Qiang sun Xuhang Ma Francesco Lamberti Zhubing He Department of Materials Science and Engineering Institute of Innovative Materials (I2M) Shenzhen Key Laboratory of Full Spectral Solar Electricity Generation (FSSEG)Southern University of Science and Technology (SUSTech) Core Research Facilities Southern University of Science and Technology Department of Chemical Sciences Department of Industrial Engineering University of Padova

Widely used spin-coated nickle oxide （NiOx） based perovskite solar cells often suffer from severe interfacial reactions between the NiOxand adjacent perovskite layers due to surface defect states,which inherently impair device performance in a long-term view,even with surface molecule *** this study,we developed high-quality magnetron-sputtered NiOxthin films through detailed process optimization,and compared systematically sputtered and spin-coated NiOxthin film surfaces from materials to *** sputtered NiOxfilms exhibit improved crystallinity,smoother surfaces,and significantly reduced Ni3+or Ni vacancies compared to their spin-coated ***,the interface between the perovskite and sputtered NiOxfilm shows a substantially reduced density of defect *** solar cells （PSCs） fabricated with our optimally sputtered NiOxfilms achieved a high power conversion efficiency （PCE） of up to 19.93%and demonstrated enhanced stability,maintaining 86.2% efficiency during 500 h of maximum power point tracking under one standard sun ***,with the surface modification using (4-(2,7-dibromo-9,9-dimethylacridin-10（9H）-yl)butyl)p hosphonic acid （DMAcPA）,the device PCE was further promoted to 23.07%,which is the highest value reported for sputtered NiOxbased PSCs so far.

关键词： Perovskite

Deciphering Water Oxidation Catalysts:The Dominant Role of Surface Chemistry over Reconstruction Degree in Activity Promotion

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Nano-Micro Letters 2025年第3期17卷 340-354页

作者： Li An Jianyi Li Yuanmiao sun Jiamin Zhu Justin Zhu Yeow Seow Hong Zhang Nan Zhang Pinxian Xi * Zhichuan JXu Chun‑Hua Yan State Key Laboratory of Applied Organic Chemistry Key Laboratory of Nonferrous Metal Chemistry and Resources Utilization of Gansu ProvinceFrontiers Science Center for Rare IsotopesCollege of Chemistry and Chemical EngineeringLanzhou UniversityLanzhou 730000People’s Republic of China School of Materials Science and Engineering Nanyang Technological UniversitySingapore 639798Singapore Faculty of Materials Science and Energy Engineering Institute of Technology for Carbon NeutralityShenzhen Institute of Advanced TechnologyChinese Academy of SciencesShenzhen 518055People’s Republic of China Key Laboratory of Electromagnetic Materials and Devices National Center for International Research On Photoelectric and Energy MaterialsSchool of Materials and EnergyElectron Microscopy CenterYunnan UniversityKunming 650091People’s Republic of China State Key Laboratory of Baiyunobo Rare Earth Resource Researches and Comprehensive Utilization Baotou Research Institute of Rare EarthsBaotou 014030People’s Republic of China Beijing National Laboratory for Molecular Sciences State Key Laboratory of Rare Earth Materials Chemistry and ApplicationsPKU‑HKU Joint Laboratory in Rare Earth Materials and Bioinorganic ChemistryPeking UniversityBeijing 100871People’s Republic of China

Water splitting hinges crucially on the availability of electrocatalysts for the oxygen evolution *** surface reconstruction has been widely observed in perovskite catalysts,and the reconstruction degree has been often correlated with the activity ***,a systematic study on the roles of Fe substitution in activation of perovskite LaNiO_(3)is *** substituting Fe content influences both current change tendency and surface reconstruction ***_(0.9)Fe_(0.1)O_(3)is found exhibiting a volcano-peak intrinsic activity in both pristine and reconstructed among all substituted perovskites in the LaNi_(1-x)Fe_(x)O_(3)(x=0.00,0.10,0.25,0.50,0.75,1.00)*** reconstructed LaNi_(0.9)Fe_(0.1)O_(3)shows a higher intrinsic activity than most reported NiFe-based ***,density functional theory calculations reveal that Fe substitution can lower the O 2p level,which thus stabilize lattice oxygen in LaNi0.9Fe0.1O3 and ensure its long-term ***,it is vital interesting that activity of the reconstructed catalysts relied more on the surface chemistry rather than the reconstruction *** effect of Fe on the degree of surface reconstruction of the perovskite is decoupled from that on its activity enhancement after surface *** finding showcases the importance to customize the surface chemistry of reconstructed catalysts for water oxidation.

关键词： Oxygen evolution reaction Perovskite oxides Doping Activation and reconstruction

Systematic Acupuncture Explains Acupuncture at Baihui(GV20) and Fengchi(GB20) Targeting the Inflammatory Response to Regulate Migraine

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Journal of Traditional Chinese Medicine 2025年

作者： MIN Yu Zheng Meifeng sun Ju PENG Zetong CAO Zhixian HUANG Xiaohua Medical College of Acu-Moxi and Rehabilitation， Guangzhou University of Chinese Medicine Department of Rehabilitation Medicine， the Affiliated Panyu Central Hospital of Guangzhou Medical University

Objective: To take Baihui (GV20) and Fengchi (GB20) targeting inflammatory response to regulate migraine as an example to describe a new method for studying the mechanism of stimulating ***: The target information of Baihui (GV20) and Fengchi (GB20) was retrieved， and after intersection with migraine， Kyoto Encyclopedia of Genes and Genomes (KEGG)， Reactome， and UniProt Keywords were used for functional enrichment. After selecting the main pathway， rats were selected and nitroglycerin was used for modeling， and the behavioral scores， inflammatory factors， heme oxygenase 1 (HMOX1)， protein kinase B (AKT1)， signal transducer and activator of transcription 3 (STAT3)， phosphorylated extracellular signal-regulated kinase 1/2 (P-ERK1/ERK2) and other states of the rats in the acupuncture， twisting， and electroacupuncture groups were ***: A total of 135 Baihui (GV20) targets and 27 Fengchi (GB20) targets were collected. A total of 73 target information were obtained after the intersection of these targets in migraine. These 73 targets have three main pathways: hypoxia-inducible factor 1 (HIF-1) signaling pathway， signaling by interleukins and inflammatory response. The main targets in the pathway were verified and found that interleukin-1 beta (IL-1β)， interleukin-6 (IL-6)， tumor necrosis factor-alpha (TNF-α) and HMOX1， AKT1， STAT3， P-ERK1/ERK2 can be regulated by Baihui (GV20) and Fengchi (GB20).Conclusion: Baihui (GV20) and Fengchi (GB20) can regulate migraine by regulating inflammatory factors and HMOX1， AKT1， STAT3， P-ERK1/ERK2 and other changes in HIF-1 signaling pathway， Signaling by Interleukins and Inflammatory response pathways. Based on systems biology and network pharmacology， and with the model of "acupoint-target-disease"， explore the research methods of systematic acupuncture and moxibustion. We believe this is a usable research direction for exploring the mechanism of acupuncture stimulation.

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Improved Twin Support Vector Machine Algorithm and Applications in Classification Problems

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China Communications 2024年第5期21卷 261-279页

作者： sun yi Wang Zhouyang Beijing University of Posts and Telecommunications School of Computer Science(National Pilot Software Engineering School) Beijing University of Posts and Telecommunications International School

The distribution of data has a significant impact on the results of *** the distribution of one class is insignificant compared to the distribution of another class,data imbalance *** will result in rising outlier values and ***,the speed and performance of classification could be greatly *** the above problems,this paper starts with the motivation and mathematical representing of classification,puts forward a new classification method based on the relationship between different classification *** with the vector characteristics of the actual problem and the choice of matrix characteristics,we firstly analyze the orderly regression to introduce slack variables to solve the constraint problem of the lone *** we introduce the fuzzy factors to solve the problem of the gap between the isolated points on the basis of the support vector *** introduce the cost control to solve the problem of sample ***,based on the bi-boundary support vector machine,a twostep weight setting twin classifier is *** can help to identify multitasks with feature-selected patterns without the need for additional optimizers,which solves the problem of large-scale classification that can’t deal effectively with the very low category distribution gap.

关键词： fuzzy ordered regression(OR) relaxing variables twin support vector machine

REEs recovery from molten salt electrolytic slag:Challenges and opportunities for environmentally friendly techniques

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Journal of Rare Earths 2024年第6期42卷 1009-1019,I0001页

作者： Ziyan Yang Faxin Xiao Shuchen sun heng Zhong Ganfeng Tu School of Metallurgy Northeastern UniversityShenyang110819China Key Laboratory for Recycling of Nonferrous Metal Resources(Shenyang) Shenyang110819China

Due to the unique physical and chemical properties,rare earth elements(REEs)play a significant role in the high-tech *** the past few decades,the rare earth reserve in China has been gradually decreasing and more pressure has been exerted on the global rare earth supply for the increasing demand of REEs,which indicates that it is essential to recycle secondary resources to meet the rare earth *** for rare earth molten salt electrolytic slag(REMES),although its high rare earth content has potential huge economic value,its high fluorine content of approximately 10 wt%-20 wt%can pollute the *** methods are used to treat *** metallurgical and pyro-hydrometallurgical methods have gotten a big success for solving most of the hydrometallurgical problems,while some problems,like long route and waste water,need to be *** distillation is a new and promising method with a short process due to its harmlessness and high efficiency,but has shortcomings such as high energy consumption and material *** review presents these above three treatment methods,and the challenges and chances of using the recovery technique of REMES in an environmentally friendly way.

关键词： Rare earths Molten salt electrolytic slag Hydrometallurgy Pyro-hydrometallurgy Vacuum distillation Recovery

Spectroscopic Parameters of X^3∑^-, a^1△, and A^＇3△ Electronic States of SO Radical

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Chinese Journal of Chemical Physics 2012年第5期25卷 533-539,I0003页

作者： Jie-min Wang heng-qiang Feng Jin-feng sun De-heng Shi Zun-lue Zhu Department of Physics and Electronic Information Luoyang Normal CollegeLuoyang 471022China College of Physics and Information Engineering Henan Normal UniversityXinxiang 453007China

The potential energy curves （PECs） of three low-lying electronic states （X^3∑, a^1△, and a^3△） of SO radical have been studied by ab initio quantum chemical method. The calcula- tions were carried out with the full valence complete active space self-consistent field method followed by the highly accurate valence internally contracted multireference configuration in- teraction （MRCI） approach in combination with correlation-consistent basis sets. Effects of the core-valence correlation and relativistic corrections on the PECs are taken into account. The core-valence correlation correction is carried out with the cc-pCVDZ basis set. The way to consider the relativistic correction is to use the second-order Douglas-Kroll Hamiltonian approximation, and the correction is performed at the level of cc-pV5Z basis set. To obtain more reliable results, the PECs determined by the MRCI calculations are also corrected for size-extensivity errors by means of the Davidson modification （MRCI＋Q）. These PECs are extrapolated to the complete basis set limit by the two-point energy extrapolation scheme. With these PECs, the spectroscopic parameters are determined.

关键词： Spectroscopic parameter Core-valence correlation Relativistic correction Extrapolation

A unified model for ductile-to-brittle transition in body-centered cubic metals

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Journal of Materials Science & Technology 2023年第10期141卷 193-198页

作者： Yu-heng Zhang En Ma Jun sun Wei-Zhong Han State Key Laboratory for Mechanical Behavior of Materials Xi’an Jiaotong UniversityXi’an 710049China

Ductile-to-brittle transition(DBT)is a well-known phenomenon in body-centered-cubic(BCC)metals,in-termetallics and semiconductor materials.A quantitative prediction of the DBT temperature,however,has so far remained ***,we propose a unified model based on the efficacy of dislocation multi-plication as the controlling factor for DBT,with the dislocation source efficiency governed by the relative mobility of screw versus edge *** model successfully predicts the DBT temperature of iron,molybdenum and tungsten,and also covers the influence of grain size,initial dislocation density,and the multiplicity of dislocation sources.A comparison with experiments indicates that the model captures the key DBT features,providing new insight into the toughness of BCC metals.

关键词： Metals Ductile Brittle Dislocation Mobility

Influences of phosphate nutritional level on the phytoavailability and speciation distribution of cadmium and lead in soil

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Journal of Environmental Sciences 2006年第6期18卷 1247-1253页

作者： CHEN Su sun Tie-heng sun Li-na ZHOU Qi-xing CHAO Lei Key Laboratory of Terrestrial Ecological Process Institute of Applied Ecology Chinese Academy of Sciences Shenyang 110016 China Key Laboratory of Environment Engineering of Shenyang University Shenyang 100041 China Graduate School of Chinese Academy of Sciences Beijing 100039 China

A pot experiment was conducted to examine the influence of phosphate levels on the phytoavailability and speciation distribution of cadmium （Cd）, lead （Pb） in soil. Spring wheat （Triticum aestivum L.） was selected as the tested plant. There were 5 phosphate fertilizer（Ca（H2PO4）2） levels including 0, 50, 100, 200, and 400 mg P2O5/kg soil, marked by P0, P1, P2, P3, and P4, respectively. CdCl2·2.5H2o and Pb（NO3）2 were added to soil as the following levels： Cd ＋ Pb = 25＋0, 0＋1000, and 25＋1000 mg/kg, marked by T1, T2, and T3, respectively. The results showed that the P fertilizer promoted the dry weight of wheat in all treatments and alleviated the contamination induced by Cd and Pb. With increasing levels of the additional P fertilizer, Cd concentration in different parts （root, haulm, chaffand grain） of wheat decreased at the P1 level at first and then increased. The soluble plus exchangeable （SE） fraction of Cd in soil decreased at the P1 level and then increased from P2 to P4 levels. The moderate P fertilizer reduced the phytoavailability of Cd. The application of P could obviously restrain the uptake of Pb by wheat and there were significantly negative correlations between the levels of P and the uptake of Pb. Phosphorus supply resulted in a decrease in the SE fraction of Pb and there was a significantly negative correlation between the levels of P and the SE fraction of Pb in soil. All the levels of the P fertilizer in this experiment could reduce the phytoavailability of Pb. Thus, it is feasible to apply the P fertilizer （Ca（H2PO4）2） to Pb contaminated soils. However, the levels of P application should be restricted in case that redundant P may increase the phytoavailability of Cd.

关键词： phosphate phytoavailability speciation distribution cadmium lead

A subgraph matching algorithm based on subgraph index for knowledge graph

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Frontiers of Computer Science 2022年第3期16卷 123-140页

作者： Yunhao sun Guanyu LI Jingjing DU Bo NING heng CHEN Faculty of Information Science and Technology Dalian Maritime UniversityLiaoning 116026China Faculty of Software Dalian University of Foreign LanguagesLiaoning 116044China

The problem of subgraph matching is one fundamental issue in graph search,which is NP-Complete ***,subgraph matching has become a popular research topic in the field of knowledge graph analysis,which has a wide range of applications including question answering and semantic *** this paper,we study the problem of subgraph matching on knowledge ***,given a query graph q and a data graph G,the problem of subgraph matching is to conduct all possible subgraph isomorphic mappings of q on *** graph is formed as a directed labeled multi-graph having multiple edges between a pair of vertices and it has more dense semantic and structural features than general *** accelerate subgraph matching on knowledge graph,we propose a novel subgraph matching algorithm based on subgraph index for knowledge graph,called as *** subgraph matching algorithm consists of two key *** design is a subgraph index of matching-driven flow graph(FGqT),which reduces redundant calculations in *** design is a multi-label weight matrix,which evaluates a near-optimal matching tree for minimizing the intermediate *** the aid of these two key designs,all subgraph isomorphic mappings are quickly conducted only by traversing *** empirical studies on real and synthetic graphs demonstrate that our techniques outperform the state-of-the-art algorithms.

关键词： knowledge graph subgraph matching subgraph index matching tree

Diarylheptanoids from the root bark of Juglans cathayensis

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Chinese Chemical Letters 2013年第6期24卷 521-523页

作者： Juan Li Jia-Xiang sun heng-yi Yu Zu-Yu Chen Xiao-Ya Zhao Han-Li Ruan Department of Pharmacy Tongji Hospital Affiliated Tongji Medical CollegeHuazhong University of Science and Technology School of Pharmacy Tongji Medical College of Huazhong University of Science and Technology Hubei Entry-Exit Inspection and Quarantine Bureau

A new diarylheptanoid glucoside,（8R,9R）-17-methoxy-2-oxatricyclo[13.***.2.1^（3.7）]icosa-l（17）,3（20）,4,6, 15,18-hexaene-4,9,10-triol-9-O-β-D-glucopyranoside（1）,namely jugcathayenoside,together with two known diarylheptanoids,（＋）-galeon（2） and 4-hydroxy-17-methoxy-2-oxatricyclo[13.***.2.1^（3,7） ]icosa-1（17）,3（20）,4,6,15,18-hexaene-9-one（3）,were isolated from the root bark of Juglans cathayensis. Their structures were elucidated on the basis of extensive spectroscopic data analysis.

关键词： Juglans cathayensis Diarylheptanoid glucoside Jugcathayenoside