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Probing the electric double layer structure at nitrogen-doped graphite electrodes by constant-potential molecular dynamics simulations

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Journal of Energy Chemistry 2024年第6期93卷 299-305,I0008页

作者： Legeng Yu Nan Yao Yu-Chen Gao Zhong-Heng Fu bo jiang Ruiping Li Cheng Tang Xiang Chen Tsinghua Center for Green Chemical Engineering Electrification(CCEE) Department of Chemical EngineeringTsinghua UniversityBeijing 100084China Beijing Advanced Innovation Center for Materials Genome Engineering Institute for Advanced Materials and TechnologyUniversity of Science and Technology BeijingBeijing 100083China National Materials Corrosion and Protection Data Center University of Science and Technology BeijingBeijing 100083China Ordos Carbon Neutral Research and Application Co. Ltd.Ordos 017010Inner Mongoli1China Institute for Carbon Neutrality Tsinghua UniversityBeijing 100084China Center for Next-Generation Energy Materials and School of Chemical Engineering Sungkyunkwan University2066 Seobu-roJangan-guSuwon-siGyeonggi-do 16419Republic of Korea

Electric double layer(EDL)is a critical topic in electrochemistry and largely determines the working performance of lithium ***,atomic insights into the EDL structures on heteroatom-modified graphite anodes and EDL evolution with electrode potential are very ***,a constant-potential molecular dynamics(CPMD)method is proposed to probe the EDL structure under working conditions,taking N-doped graphite electrodes and carbonate electrolytes as an *** interface model was developed,incorporating the electrode potential and atom *** a result,an insightful atomic scenario for the EDL structure under varied electrode potentials has been established,which unveils the important role of doping sites in regulating both the EDL structures and the following electrochemical reactions at the atomic ***,the negatively charged N atoms repel the anions and adsorb Li~+at high and low potentials,*** preferential adsorption suggests that Ndoped graphite can promote Li~+desolvation and regulate the location of Li~+*** CPMD method not only unveils the mysterious function of N-doping from the viewpoint of EDL at the atomic level but also applies to probe the interfacial structure on other complicated electrodes.

关键词： Lithium batteries Graphite N-doping Electric double layer Molecular dynamics Constant potential method Electrode potential

Refining the Factors Affecting N_(2)O Emissions from Upland Soils with and without Nitrogen Fertilizer Application at a Global Scale

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Advances in Atmospheric Sciences 2024年第9期41卷 1804-1820页

作者： Wenqian jiang Siqi LI Yong LI Meihui WANG bo WANG Ji LIU Jianlin SHEN Xunhua ZHENG State Key Laboratory of Atmospheric boundary Layer Physics and Atmospheric Chemistry Institute of Atmospheric PhysicsChinese Academy of SciencesBeijing 100029China Key Laboratory for Agro-ecological Processes in Subtropical Regions Institute of Subtropical AgricultureChinese Academy of SciencesChangsha 410125China Changsha Research Station for Agricultural&Environmental Monitoring Chinese Academy of SciencesChangsha 410125China University of Chinese Academy of Sciences Beijing 100049China State Environmental Protection Key Laboratory of Formation and Prevention of the Urban Air Pollution Complex Shanghai Academy of Environment SciencesShanghai 200233China Institute of Carbon Neutrality Qilu ZhongkeJinan 251699China Hubei Province Key Laboratory for Geographical Process Analysis and Simulation Central China Normal UniversityWuhan 430079China Department of Ecohydrology Leibniz Institute of Freshwater Ecology and Inland FisheriesBerlin 12587Germany Key laboratory of Environment Change and Resources Use in Beibu Gulf Ministry of EducationNanning Normal UniversityNanning 530001China Golden Mantis school of Architecture Soochow UniversitySuzhou 215123China

Nitrous oxide(N_(2)O)is a long-lived greenhouse gas that mainly originates from agricultural *** and more studies have explored the sources,influencing factors and effective mitigation measures of N_(2)O in recent ***,the hierarchy of factors influencing N_(2)O emissions from agricultural soils at the global scale remains *** this study,we carry out correlation and structural equation modeling analysis on a global N_(2)O emission dataset to explore the hierarchy of influencing factors affecting N_(2)O emissions from the nitrogen(N)and non-N fertilized upland farming systems,in terms of climatic factors,soil properties,and agricultural *** results show that the average N_(2)O emission intensity in the N fertilized soils(17.83 g N ha^(-1)d^(-1))was significantly greater than that in the non-N fertilized soils(5.34 g N ha^(−1) d^(−1))(p<0.001).Climate factors and agricultural practices are the most important influencing factors on N_(2)O emission in non-N and N fertilized upland soils,*** different climatic zones,without fertilizer,the primary influence factors on soil N_(2)O emissions are soil physical properties in subtropical monsoon zone,whereas climatic factors are key in the temperate *** fertilizer,the primary influence factors for subtropical monsoon and temperate continental zones are soil physical properties,while agricultural measures are the main factors in the temperate monsoon *** enhanced agricultural practices,such as reduced N fertilizer rate combined with the addition of nitrification and urease inhibitors can potentially mitigate N_(2)O emissions by more than 60%in upland farming systems.

关键词： N_(2)O emissions influencing factors nitrogen cycling upland farming systems

Effect of various aromatic compounds with different functional groups on enzymatic hydrolysis of microcrystalline cellulose and alkaline pretreated wheat straw

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Journal of Bioresources and Bioproducts 2024年第2期9卷 211-221页

作者： Yufeng Yuan Xinyu Guo bo jiang Wenjuan Wu Tingwei Zhang Michael Sweeney Mehraj Ahmad Yongcan Jin jiangsu Co-Innovation Center of Efficient Processing and Utilization of Forest Resources International Innovation Center for Forest Chemicals and MaterialsJiangsu Provincial Key Lab of Pulp and Paper Science and TechnologyNanjing Forestry UniversityNanjing 210037China School of Chemistry and Chemical Engineering Queen’s University BelfastBelfast BT71NNNorthern Ireland United Kingdom Department of Food Science and Engineering College of Light Industry and Food EngineeringNanjing Forestry UniversityNanjing 210037China

Low molecular aromatic compounds are detrimental to the enzymatic hydrolysis of ***,the specific role of their functional groups remains ***,a series of nine aromatic compounds as additives were tested to understand their effect on the hydrolysis yield of microcrystalline cellulose(MCC)and alkaline pretreated wheat *** on the results,the inhibition of aldehyde groups on MCC was greater than that of carboxyl groups,whereas for the alkaline pretreated wheat straw case,the inhibitory effect of aldehyde groups was lower than that of carboxyl *** methoxyl groups of aromatic compounds reduced the inhibitory ef-fect on enzymatic hydrolysis of both *** inhibition of aromatic compounds on MCC hydrolysis was detected in comparison with the alkaline pretreated wheat straw,indicating that the substrate lignin can offset the inhibition to a certain *** all aromatic com-pounds,syringaldehyde with one aldehyde group and two methoxyl groups improved the glucan conversion of the alkaline pretreated wheat straw.

关键词： Aromatic compound Functional group Enzymatic hydrolysis Alkaline pretreated wheat straw Microcrystalline cellulose

Super-high bed sintering for iron ores:problems ascertainment

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Journal of Iron and Steel Research International 2024年第5期31卷 1063-1070页

作者： Liang-ping Xu Hui-bo Liu Yu-chao Zhao Qiang Zhong Zhong-lin Dong Guang-hui Li Tao jiang School of Minerals Processing and Bioengineering Central South UniversityChangsha410083HunanChina

Super-high bed sintering process is an important development direction of iron ore sintering for its lower emission and higher ***,there is a lack of deep understanding of the uneven quality of super-high bed sintering products,and the deterioration of reduction disintegration performance,the thickening of hearth layer and the reduction in energy-saving effect are perplexing enterprises and *** ascertain the problems of super-high bed sintering,ten sintering machines with the areas of 265,280,360,550 and 660 m^(2)and bed depth above 900 mm were sampled and *** results showed that problems were mainly shown in the unevenness of chemical composition,macrostructure,mechanical strength and metallurgical *** chemical composition exhibits severe segregation in both horizontal and vertical directions,with basicity segregation reaching as high as *** uneven macrostructure of sinter is reflected in a 10%difference in porosity and mechanical strength increase in 16%–19%along the vertical *** reducibility and reduction disintegration performance gradually deteriorate along the bed depth,with a difference of 10.5%in reducibility and 7.3%in RDI−0.5 mm(reduction disintegration index of sinter with size smaller than 0.5 mm).

关键词： Super-high bed sintering Uneven sinter performance Segregation Agglomeration Iron ore

Review of the Analysis and Suppression for High-frequency Oscillations of the Grid-connected Wind Power Generation System

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CES Transactions on Electrical Machines and Systems 2024年第2期8卷 127-142页

作者： bo Pang Qi Si Pan jiang Kai Liao Xiaojuan Zhu Jianwei Yang Zhengyou He the College of Electrical Engineering Southwest Jiaotong UniversityChengdu 610031China IEEE

High-frequency oscillation(HFO)of gridconnected wind power generation systems(WPGS)is one of the most critical issues in recent years that threaten the safe access of WPGS to the *** the WPGS can damp HFO is becoming more and more vital for the development of wind *** HFO phenomenon of wind turbines under different scenarios usually has different ***,engineers need to acquire the working mechanisms of the different HFO damping technologies and select the appropriate one to ensure the effective implementation of oscillation damping in practical *** paper introduces the general assumptions of WPGS when analyzing HFO,systematically summarizes the reasons for the occurrence of HFO in different scenarios,deeply analyses the key points and difficulties of HFO damping under different scenarios,and then compares the technical performances of various types of HFO suppression methods to provide adequate references for engineers in the application of ***,this paper discusses possible future research difficulties in the problem of HFO,as well as the possible future trends in the demand for HFO damping.

关键词： Damping method High-frequency oscillation Stability Wind power generation

爆炸处理消除大型柱壳结构环焊缝残余应力实验研究

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爆炸与冲击 2008年第3期28卷 213-219页

作者：洪江波侯海量朱锡阚于龙海军工程大学船舶与海洋工程系湖北武汉430033 华中科技大学船舶与海洋工程学院

为探讨大型耐压柱壳结构对接环焊缝焊接残余应力消除方法,根据耐压柱壳结构环焊缝焊接工艺,设计并制作了大型耐压柱壳结构对接环焊缝模拟焊接模型,并采用沿焊缝条状布药,分别进行了单、双面布药爆炸处理消除大型耐压柱壳结构对接环焊缝... 详细信息

为探讨大型耐压柱壳结构对接环焊缝焊接残余应力消除方法,根据耐压柱壳结构环焊缝焊接工艺,设计并制作了大型耐压柱壳结构对接环焊缝模拟焊接模型,并采用沿焊缝条状布药,分别进行了单、双面布药爆炸处理消除大型耐压柱壳结构对接环焊缝焊接残余应力模型实验。结果表明:大型耐压柱壳结构对接环焊缝存在较大的焊接残余应力;单、双面爆炸处理均能有效调整、消除焊接残余应力,残余应力分布明显均匀化;焊后残余应力越大,爆炸处理效果越明显,当焊接残余应力大于0.5sσ时,单面爆炸处理后残余应力σm下降幅度在40%以上,双面爆炸处理后残余应力σm下降幅度在60%以上;采用沿焊缝条状布药,爆炸处理能有效消除沿焊缝的纵向残余应力;双面爆炸处理效果优于单面爆炸处理效果。

关键词：固体力学消除残余应力爆炸处理焊接耐压

Photocatalytic applications and modification methods of two-dimensional nanomaterials:a review

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Tungsten 2024年第1期6卷 77-113页

作者： Fan Yang Ping Hu Fan Yang Xing-jiang Hua bo Chen Lili Gao Kuai-She Wang School of Metallurgy Engineering Xi’an University of Architecture and TechnologyXi’an 710055China National and Local Joint Engineering Research Center for Functional Materials Processing Xi’an University of Architecture and TechnologyXi’an 710055China

Due to its unique electronic structure and special size effect,two-dimensional(2D)nanomaterials have shown great potential far beyond bulk materials in the field of *** to deeply explore the photocatalytic mechanism of 2D nanomaterials and design more efficient 2D semiconductor photocatalysts are research *** review provides a comprehensive introduction to typical 2D nanomaterials and discusses their current application status in the field of *** effects of material properties such as band structure,morphology,crystal face structure,crystal structure and surface defects on the photocatalytic process are *** main modification methods are highlighted,including doping,noble metal deposition,heterojunction,thickness adjustment,defect engineering,and dye sensitization in 2D material ***,the future development of 2D nanomaterials is *** is hoped that this paper can provide systematic and useful information for researchers engaged in the field of photocatalysis.

关键词： Photocatalysis Two-dimensional Nanomaterials Bandgap Modification strategy

Simulation of Rotating Asymmetric Sideways Forces during Vertical Displacement Events in CFETR

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Chinese Physics Letters 2024年第8期41卷 39-44页

作者： Changzhi jiang Shunwen Wang Zhenyu Zhou Di Hu bo Li JOREK team School of Physics Beihang UniversityBeijing 100191China

Tokamak plasmas with elongated cross sections are susceptible to vertical displacement events(VDEs),which can damage the first wall via heat flux or electromagnetic(EM)*** present a 3D nonlinear reduced magnetohydrodynamic(MHD)simulation of CFETR plasma during a cold VDE following the thermal quench,focusing on the relationship among the EM force,plasma displacement,and the n=1 *** dominant mode,identified as m/n=2/1,becomes destabilized when most of the current is contracted within the q=2 *** displacement of the plasma current centroid is less than that of the magnetic axis due to the presence of SOL current in the open field line ***,the symmetric component of the induced vacuum vessel current is significantly *** direction of the sideways force keeps a constant phase approximately compared to the asymmetric component of the vacuum vessel current and the SOL current,which in turn keep in-phase with the dominant 2/1 *** amplitudes are also closely associated with the growth of the dominant *** findings provide insights into potential methods for controlling the phase and amplitude of sideways forces during VDEs in the future.

关键词： CFETR displacement vacuum

Catalytic C-H activation-initiated transdiannulation:An oxygen transfer route to ring-fluorinated tricyclic γ-lactones

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Chinese Chemical Letters 2024年第9期35卷 145-149页

作者： Qiuyun Li Yannan Zhu Yining Wang Gang Qi Wen-Juan Hao Kelu Yan bo jiang School of Chemistry and Chemical Engineering Yancheng Institute of TechnologyYancheng 224051China School of Chemistry&Materials Science Jiangsu Normal UniversityXuzhou 221116China Key Laboratory of Life-Organic Analysis of Shandong Province School of Chemistry and Chemical EngineeringQufu Normal UniversityQufu 273165China

Catalytic C–H activation-initiated annulation reactions have emerged as a versatile strategy for the efficient construction of diverse ring structural units and complex cyclic molecules in synthetic ***,we describe a new Rh(Ⅲ)-catalyzed C–H activation-initiated transdiannulation reaction of N,Ndimethyl enaminones with gem-difluorocyclopropenes in the presence of H_(2)O,enabling a facile and oxygen transfer access to ring-fluorinated tricyclicγ-lactones with a 6-5 ring-junction tetrasubstituted *** approach features bond-forming/annulation efficiency,good functional group tolerance and complete regioselectivity,which may include a complex process consisting of Rh(Ⅲ)-catalyzed C(sp2)–H activation,cyclic alkene insertion,defluorinated ring-opening of gem-difluorocyclopropane,intramolecular oxygen transfer,intramolecular cyclization and oxidative hydration.

关键词： C-H bond activation Enaminones Transannulation Oxygen transfer Regioselectivity