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AB INITIO CALCULATION ON CAPTODATIVE EFFECT OF THE FREE RADICAL OF 2,2,2-TRIFLUOROETHYLAMINE

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Chinese Chemical Letters 1993年第1期4卷 73-74页

作者： Wei Xing LI xun jun zhou Nian Ci WU Guo Qiang CAI Department of Chemical Engineering Zhejiang Institute of TechnologyHangzhou 310014 Department of Chemistry Hangzhou UniversityHangzhou 310028 Department of Chemistry Zhejiang UniversityHangzhou 310027

This letter presents ab initio calculation of Captodative effect on 2,2,2-trifluoroethylamine free radical on STO-3G level. The △Ecd is -50. 15 kJ/mol, which means that this radical is of extra stabilization energy.

关键词： AB INITIO CALCULATION ON CAPTODATIVE EFFECT OF THE FREE RADICAL OF 2,2,2-TRIFLUOROETHYLAMINE CF

3D-Printed Monolith Metallic Ni-Mo Electrodes for Ultrahigh Current Hydrogen Evolution

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Energy & Environmental Materials 2024年第5期7卷 228-237页

作者： Yanran xun Hongmei Jin Yuemeng Li Shixiang zhou Kaixi Zhang Xi Xu Win Jonhson Shuai Chang Teck Leong Tan jun Ding Department of Materials Science and Engineering National University of Singapore Institute of High Performance Computing (IHPC) Agency for Science Technology and Research (ASTAR) Key Laboratory of Flexible Electronics of Zhejiang Province Ningbo Institute of Northwestern Polytechnical University State Key Laboratory of Advanced Welding and Joining Harbin Institute of Technology

In this work, we reported a series of monolithic 3D-printed Ni–Mo alloy electrodes for highly efficient water splitting at high current density(1500 mA cm-2) with excellent stability, which provides a solution to scale up Ni–Mo catalysts for HER to industry use. All possible Ni–Mo metal/alloy phases were achieved by tuning the atomic composition and heat treatment procedure, and they were investigated through both experiment and simulation, and the optimal NiMo phase shows the best performance.

关键词： 3D-printed electrode Ni–Mo catalyst phase tuning ultra-high current density HER

Bi-Level Bidding and Multi-Energy Retail Packages for Integrated Energy Service Providers Considering Multi-Energy Demand Elasticity

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CSEE Journal of Power and Energy Systems 2024年第4期10卷 1761-1774页

作者： xun Dou jun Wang Qinran Hu Yang Li College of Electrical Engineering and Control Science Nanjing Tech UniversityNanjing 211816China School of Electrical Engineering Southeast UniversityNanjing 210096China

How to effectively use the multi-energy demand elasticity of users to bid in the multi-energy market and formulate multi-energy retail packages is an urgent problem which needs to be solved by integrated energy service providers(IESPs)to attract more users and reduce operating *** paper presents a unified clearing of electricity and natural gas based on a bi-level bidding and multi-energy retail price formulation method for IESPs considering multi-energy demand ***,we propose an operating structure of IESPs in the wholesale and retail energy *** multi-energy demand elasticity model of retail-side users and a retail price model for electricity,gas,heat and cooling are ***,a bi-level bidding model for IESPs considering multi-energy demand elasticity is established to provide IESPs with wholesale-side bidding decisions and retail-side energy retail price ***,an example is given to verify the proposed *** results show that the method improves the total social welfare of the electricity and natural gas markets by 7.99%and the profit of IESPs by 1.40%.It can reduce the variance of the electricity,gas,and cooling load curves,especially the reduction of the variance of the electricity load curve can which reach 79.90%.It can be seen that the research in this paper has a positive effect on repairing the limitations of integrated energy trading research and improving the economics of the operation of IESPs.

关键词： Bi-level bidding integrated energy service providers multi-energy demand elasticity multi-energy retail packages unified clearing of electricity and natural gas

Optimal Configuration of Multitype Energy Storage for Integrated Energy Systems Considering System Reserve Value

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CSEE Journal of Power and Energy Systems 2024年第5期10卷 2114-2126页

作者： xun Dou jun Wang Zhenyuan Zhang Min Gao College of Electrical Engineering and Control Science Nanjing Tech UniversityNanjing 211816China Research Institute of NARI Technology Co. Ltd.Nanjing 211106China School of Mechanical and Electrical Engineering University of Electronic Science and Technology of ChinaChengdu 611731China Falcon Computing Solutions 10880 Wilshire Blvd Suite 1132Los AngelesCA 90024USA

An integrated energy system(IES)contributes to improving energy efficiency and promoting sustainable energy *** different dynamic characteristics of the system,such as demand/response schemes and complex coupling characteristics among energy sources,siting and sizing of multitype energy storage(MES)are very important for the economic operation of the *** the effect of the diversity of the IES on system reserve based on electricity,gas and heat systems in different scenarios,a two-stage MES optimal configuration model,considering the system reserve value,is *** the first stage,to determine the location and charging/discharging strategies,a location choice model that minimizes the operating cost,considering the system reserve value,is *** the second stage,a capacity choice model,to minimize the investment and maintenance cost of the MES,is ***,an example is provided to verify the effectiveness of the MES configuration method in this paper in handling operational diversity and ensuring system *** with the configuration method that disregards the system reserve value,the results show that the MES configuration method proposed in this paper can reduce the annual investment cost and operating cost and improve the system reserve value.

关键词： Integrated energy system multitype energy storage optimal configuration renewable source system reserve value

Mg-Al-hydrotalcite with alkaline sites protects Ni/KIT-6 from formation of amorphous coke in glycerol steam reforming via tailoring reaction intermediates

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Frontiers of Chemical Science and Engineering 2024年第4期18卷 25-39页

作者： Yunyu Guo Yiran Wang Yuewen Shao Shu Zhang Yi Wang Song Hu jun Xiang xun Hu School of Material Science and Engineering University of JinanJinan 250022China Joint International Research Laboratory of Biomass Energy and Materials College of Materials Science and EngineeringNanjing Forestry UniversityNanjing 210037China State Key Laboratory of Coal Combustion Huazhong University of Science and TechnologyWuhan 430074China

During steam reforming,the performance of a catalyst and amount/property of coke are closely related to reaction intermediates reaching surface of a ***,modification of reaction intermediates by placing Mg-Al-hydrotalcite above Ni/KIT-6 catalyst in steam reforming of glycerol was conducted at 300 to 600°*** results revealed that the catalytic activity of Ni/KIT-6 in the lower bed was enhanced with either Mg1-Al5-hydrotalcite(containing more acidic sites)or Mg5-Al1-hydrotalcite(containing more alkaline sites)as upper-layer *** in situ infrared characterization of steam reforming demonstrated that Mg-Al-hydrotalcite catalyzed the deoxygenation of glycerol,facilitating the reforming of the partially deoxygenated intermediates over Ni/***-Al-hydrotalcite as protective catalyst,however,did not protect the Ni/KIT-6 from formation of more ***,this did not lead to further deactivation of Ni/KIT-6 while Mg5-Al1-hydrotalcite even substantially enhanced the catalytic stability,even though the coke was much more significant than that in the use of single Ni/KIT-6(52.7%vs.28.6%).The reason beneath this was change of the property of coke from more aliphatic to more ***5-Al1-hydrotalcite catalyzed dehydration of glycerol,producing dominantly reaction intermediates bearing C=C,which formed the catalytic coke of with carbon nanotube as the main form with smooth outer walls as well as higher aromaticity,C/H ratio,crystallinity,crystal carbon size,thermal stability,and resistivity toward oxidation on Ni/KIT-6 in the lower *** comparison,the abundance of acidic sites on Mg1-Al5-hydrotalcite catalyzed the formation of more oxygen-containing species,leading to the formation of carbon nanotubes of rough surface on Ni/KIT-6.

关键词： steam reforming of glycerol Mg-Alhydrotalcite sacrificial catalyst reaction intermediates property of coke

Steam reforming of acetic acid over Ni/biochar of low metal-loading:Involvement of biochar in tailoring reaction intermediates renders superior catalytic performance

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Chinese Journal of Chemical Engineering 2024年第4期68卷 241-252页

作者： Yunyu Guo Yiran Wang Shu Zhang Yi Wang Song Hu jun Xiang Walid Nabgan xun Hu School of Material Science and Engineering University of JinanJinan 250022China Joint International Research Laboratory of Biomass Energy and Materials College of Materials Science and EngineeringNanjing Forestry UniversityNanjing 210037China State Key Laboratory of Coal Combustion Huazhong University of Science and TechnologyWuhan 430074China Departament d'Enginyeria Química Universitat Rovira i VirgiliTarragona 43007Spain

Biochar is a reactive carrier as it may be partially gasified with steam in steam reforming,which could influence the formation of reaction intermediates and modify catalytic ***,the Ni/biochar as well as two comparative catalysts,Ni/Al_(2)O_(3) and Ni/SiO_(2),with low nickel loading(2%(mass))was conducted to probe involvement of the varied carriers in the steam *** results indicated that the Ni/biochar performed excellent catalytic activity than Ni/SiO_(2) and Ni/Al_(2)O_(3),as the biochar carrier facilitated quick conversion of the -OH from dissociation of steam to gasify the oxygen-rich carbonaceous intermediates like C=O and C-O-C,resulting in low coverage while high exposure of nickel species for maintaining the superior catalytic *** converse,strong adsorption of aliphatic intermediates over Ni/Al_(2)O_(3) and Ni/SiO_(2) induced serious coking with polymeric coke as the main type(21.5%and 32.1%,respectively),which was significantly higher than that over Ni/biochar(3.9%).The coke over Ni/biochar was mainly aromatic or catalytic type with nanotube morphology and high *** high resistivity of Ni/biochar towards coking was due to the balance between formation of coke and gasification of coke and partially biochar with steam,which created developed mesopores in spent Ni/biochar while the coke blocked pores in Ni/Al_(2)O_(3) and Ni/SiO_(2) catalysts.

关键词： Steam reforming Acetic acid Ni/biochar catalyst Property of coke Reaction intermediates

Solid solution strategy modulated defects engineering of(Cr_(1-x)V_(x))_(2)AlC MAX phase toward superior electromagnetic wave absorption

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Rare Metals 2024年第7期43卷 3205-3219页

作者： Ji-Lin Gou Yu-Kai Chang Shu Liu Peng-Hui Li Ping-Hao Cui Qian-Ku Hu Li-Bo Wang Xin Zhang jun-Kai Wang Qi-xun Xia Ai-Guo zhou School of Materials Science and Engineering Henan Polytechnic UniversityJiaozuo 454003China Key Laboratory for Microstructural Material Physics of Hebei Province School of ScienceYanshan UniversityQinhuangdao 066004China State Key Laboratory of Metastable Materials Science and Technology Yanshan UniversityQinhuangdao 066004China

Defects engineering is an effective strategy for manipulating electromagnetic parameters and enhancing electromagnetic wave(EMW)absorption ***,the relationship between them is not clear,especially in solid solution *** this work,a series of(Cr_(1-x)V_(x))_(2)AlC MAX phase solid solutions with layered structure were prepared via tuning the ratio of Cr and V to explore their EMW absorption *** experimental results indicated that the doping of V atoms at the M-site could effectively regulate its impedance matching and EMW absorption properties by introducing appropriate numbers of defects in the crystal,such as twin boundaries,dislocations and lattice *** them,if Cr:V=3:1,Cr_(1.5)V_(0.5)AlC,as radar absorption materials,could reach a strong reflection loss of-51.8 dB at the frequency of 12.8 GHz under an ultra-thin thickness of 1.3 *** reflection loss value could attain-10 dB in a wide frequency range of 2.7-18 GHz and thickness range of 1-5 *** addition,after high temperature and acid-alkali immersion treatment,this sample still had good EMW absorption capability,and the effective absorption bandwidth was enhanced from 2.3 to 2.6 GHz after concentrated acid immersion or 3.1 GHz after concentrated alkali *** work has great reference significance for the research and development of high-performance MAX-based EMW absorption materials in harsh environments.

关键词： MAX phases Solid solution Defects engineering Electromagnetic wave absorption Harsh environments

Exploring the vital role of microglial membrane receptors in Alzheimer’s disease pathogenesis: a comprehensive review

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BIOCELL 2024年第7期48卷 1011-1022页

作者： jun-FENG ZHAO YI-RAN JIANG TIAN-LIN GUO YONG-QING JIAO xun WANG Department of Neurointervention Center Dalian No.3 People’s HospitalDalian Medical UniversityDalianChina Department of Clinical Medicine China Medical UniversityShenyangChina

Neurodegenerative diseases constitute a broad category of diseases caused by the degeneration of the *** are mainly manifested by the gradual loss of neuron structure and function and eventually can cause death or loss of *** the global population ages rapidly,increased people are being diagnosed with neurodegenerative *** has been established that the onset of Alzheimer’s disease(AD)is closely linked with increasing age and its major pathological features include amyloid-beta plaques(Aβ),Tau hyperphosphorylation,Neuroﬁbrillary tangles(NFTs),neuronal death as well as synaptic *** involvement of microglia is crucial in the pathogenesis and progression of AD and exhibits a dual *** instance,in the early stage of AD,microglia surface membrane proteins or receptors can participate in immunophagocytosis,and anti-inﬂammatory functions and act as a physical barrier after recognizing various ligands such as Aβand ***,in the later stage of the disease,membrane receptors on the surface of microglia can cause its activation to release a substantial quantity of pro-inﬂammatory *** can amplify the neuroinﬂammatory *** rapid decline of normal immune phagocytosis can result in the continuous accumulation of abnormal proteins,leading to neuronal dysfunction and destruction of the formed physical barrier as well as the neurovascular *** can also increase the transformation of microglia from anti-inﬂammatory phenotype M2 to pro-inﬂammatory phenotype M1,induce severe neuronal injury or apoptosis,and aggravate the progression of *** to few articles have focused on the AD-related membrane protein receptors on microglia,thus in this paper,we have reviewed several representative microglial membrane proteins or receptors about their speciﬁc roles and functions implicated in AD,and expect that there will be more in-depth research and scientiﬁc research results in the treatment of AD by targeted regulation of mi

关键词： Neurodegeneration Glial cell Receptor Alzheimer’s disease

Thermal pretreatment of willow branches impacts yield and pore development of activated carbon in subsequent activation with ZnCl_(2) via modifying cellulose structure

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Chinese Journal of Chemical Engineering 2024年第5期69卷 227-237页

作者： Linghui Kong Chao Li Runxing Sun Shu Zhang Yi Wang jun Xiang Song Hu Dong Wang Chuanjun Leng xun Hu School of Material Science and Engineering University of JinanJinan 250022China Joint International Research Laboratory of Biomass Energy and Materials College of Materials Science and EngineeringNanjing Forestry UniversityNanjing 210037China State Key Laboratory of Coal Combustion Huazhong University of Science and TechnologyWuhan 430074China Shandong BASAN Graphite New Material Plant Zibo 255311China

Development of pore structures of activated carbon(AC)from activation of biomass with ZnCl_(2) relies on content and structure of cellulose/hemicellulose in the *** pretreatment of biomass could induce dehydration and/or aromatization to change the structure of cellulose/*** might interfere with evolution of structures of AC,which was investigated herein via thermal pretreatment of willow branch(WB)from 200 to 360℃and the subsequent activation with ZnCl_(2) at 550℃.The results showed that thermal pretreatment at 360℃(WB-360)could lead to substantial pyrolysis to form biochar,with a yield of 31.9%,accompanying with nearly complete destruction of cellulose crystals and remarkably enhanced aromatic ***,cellulose residual in WB-360 could still be activated to form AC-360 with specific surface area of 1837.9 m~2·g^(-1),which was lower than that in AC from activation of untreated WB(AC-blank,2077.8 m~2·g^(-1)).Nonetheless,the AC-200 from activation of WB-200 had more developed pores(2113.9 m~2·g^(-1))and superior capability for adsorption of phenol,due to increased permeability of ZnCl_(2) to the largely intact cellulose structure in *** thermal pretreatment did increase diameters of micropores of AC but reduced the overall yield of AC(26.8%for AC-blank versus 18.0%for AC-360),resulting from accelerated cracking but reduced intensity of ***-situ infrared characterization of the activation showed that ZnCl_(2) mainly catalyzed dehydration,dehydrogenation,condensation,and aromatization but not cracking,suppressing the formation of derivatives of cellulose and lignin in *** thermal pretreatment formed phenolic-OH and C=O with higher chemical innerness,which changed the reaction network in activation,shifting morphology of fibrous structures in AC-blank to“melting surface”in AC-200 or AC-280.

关键词： Thermal pretreatment Activation with ZnCl_(2) Willow branch Activated carbon Biochar