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Synergy enhancement of Co single atoms and asymmetric subnanoclusters for Fenton-like activation

Nano Research 2024年第9期17卷 7935-7944页

作者： Ming Ma Zhiyi Sun Ziwei deng Xiang li Fang Zhang Wenxing Chen School of Materials Key Laboratory of Cluster Science Ministry of EducationBeijing Key Laboratory of Photoelectronic/Electrophotonic Conversion MaterialsAdvanced Technologies Research Institute(Jinan)Advanced Research Institute of Multidisciplinary ScienceSchool of Chemistry and Chemical EngineeringBeijing Institute of TechnologyBeijing 100081China Energy and Catalysis Center School of Materials Science and EngineeringBeijing Institute of TechnologyBeijing 100081China Analysis and Testing Center Beijing Institute of TechnologyBeijing Institute of TechnologyBeijing 100081China

As a new water treatment technology,Fenton-like reaction has great *** this study,we successfully prepared an excellent Fenton-like catalyst,which is composed of cobalt monoatoms and asymmetric subnanoclusters(labeled CoSA/Clu-C_(2)N),and exhibits excellent peroxymonosulfate(PMS)activation *** directly comparing the catalytic properties of CoSA-C_(2)N and CoSA/Clu-C_(2)N,the synergistic effects of coasymmetric Co subclusters and Co atoms on the activation of PMS and degradation of organic micropollutants were *** results showed that CoSA/Clu-C_(2)N had higher degradation rates of carbamazepine(CBZ),antipyrine(AT)and chlorobenzoic acid(CA)when combined with active oxidant *** cyclic frequency of CBZ was 5.4 min^(-1),which was twice as high as the catalytic constant of CoSA-C_(2)N(2.4 min^(-1)).The results show that CoSA/Clu-C_(2)N cobalt subnanoclusters and cobalt single atom can synergistically improve the catalytic performance of activated PMS oxidation of micropollutants in *** addition,electron paramagnetic resonance(EPR)technology has proved that the introduction of Co subnano clusters in CoSA/Clu-C_(2)N is conducive to the production of singlet oxygen(1O2),thereby improving the efficiency of pollutant *** work lays a solid foundation for the future design of advanced multifunctional catalysts by carefully regulating and combining monmetallic atoms and metal subnanoclusters.

关键词： carbamazepine Fenton-like reaction Co single atoms asymmetrical sub-nanoclusters peroxymonosulfate synergy enhancement

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High-strength,stretchable,and NIR-induced rapid self-healing polyurethane nanocomposites with bio-inspired hybrid crosslinked network

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Nano Research 2024年第7期17卷 6353-6361页

作者： Tianbo deng Junyuan Zhu He Zhao Binbin Xu ling Zhang Chunzhong li Key Laboratory for Ultrafine Materials of Ministry of Education Shanghai Engineering Research Center of Hierarchical NanomaterialsFrontiers Science Center for Materiobiology and Dynamic ChemistrySchool of Materials Science and EngineeringEast China University of Science&TechnologyShanghai 200237China

Stretchable and self-healable materials with excellent mechanical performance hold great promise for applications in flexible functional *** rapid developments,achieving high mechanical strength,extreme stretchability,and rapid selfhealing capability in self-healing materials remains ***,inspired by the hierarchical structure and unique network of connective tissue,we fabricated a class of bionic nanocomposites with high stretchability,outstanding mechanical strength,and rapid self-healing ability by integrating the bottlebrush copolymer functionalized graphene oxide(BCP@GO)into a polyurethane(PU)matrix via in-situ *** bottlebrush copolymer(BCP)acted as a bond bridge for linking the GO nanosheets(noncovalent interaction)and PU chains(covalent and hydrogen-bond interaction).The covalent interactions were responsible for providing high mechanical strength,and the abundant hydrogen-bond-based cross-links realized extreme stretchability and rapid self-healing *** resultant BCP@GO/PU nanocomposite with only 0.5 wt.%GO loading exhibited excellent mechanical properties(tensile strength increased by 52.1%,up to 28.6 MPa;toughness increased by 70.8%,up to 256.9 MJ/m^(3);elongation at break increased by 12.8%,up to 1847.2%),exceptional rapid and efficient self-healing ability(~99%with 20 s NIR irradiation),as well as superior shape memory and recyclable *** study develops a new strategy for designing highperformance self-healing nanocomposites and unfolds broad application prospects in smart materials.

关键词： self-healing materials smart nanocomposite high mechanical property shape memory recyclability

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Battery pack capacity estimation for electric vehicles based on enhanced machine learning and field data

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Journal of Energy Chemistry 2024年第5期92卷 605-618页

作者： Qingguang Qi Wenxue liu Zhongwei deng Jinwen li Ziyou Song Xiaosong Hu College of Mechanical and Vehicle Engineering Chongqing UniversityChongqing 400044China School of Mechanical and Electrical Engineering University of Electronic Science and Technology of ChinaChengdu 611731SichuanChina Department of Mechanical Engineering National University of SingaporeSingapore 117575Singapore

Accurate capacity estimation is of great importance for the reliable state monitoring,timely maintenance,and second-life utilization of lithium-ion *** numerous works on battery capacity estimation using laboratory datasets,most of them are applied to battery cells and lack satisfactory fidelity when extended to real-world electric vehicle(EV)battery *** challenges intensify for large-sized EV battery packs,where unpredictable operating profiles and low-quality data acquisition hinder precise capacity *** fill the gap,this study introduces a novel data-driven battery pack capacity estimation method grounded in field *** proposed approach begins by determining labeled capacity through an innovative combination of the inverse ampere-hour integral,open circuit voltage-based,and resistance-based correction ***,multiple health features are extracted from incremental capacity curves,voltage curves,equivalent circuit model parameters,and operating temperature to thoroughly characterize battery aging behavior.A feature selection procedure is performed to determine the optimal feature set based on the Pearson correlation ***,a convolutional neural network and bidirectional gated recurrent unit,enhanced by an attention mechanism,are employed to estimate the battery pack capacity in real-world EV ***,the proposed method is validated with a field dataset from two EVs,covering approximately 35,000 *** results demonstrate that the proposed method exhibits better estimation performance with an error of less than 1.1%compared to existing *** work shows great potential for accurate large-sized EV battery pack capacity estimation based on field data,which provides significant insights into reliable labeled capacity calculation,effective features extraction,and machine learning-enabled health diagnosis.

关键词： Electricvehicle lithium-ion battery pack Capacity estimation Machine learning Field data

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Naturally occurring PA^(E206K)point mutation in 2009 H1N1 pandemic influenza viruses impairs viral replication at high temperatures

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Virologica Sinica 2024年第1期39卷 71-80页

作者： Mengmeng Cao Qiannan Jia Jinghua li lili Zhao li zhu Yufan Zhang Shan li Tao deng National Institute of Pathogen Biology Chinese Academy of Medical Sciences&Peking Union Medical CollegeBeijing100730China CAS Key Laboratory of Pathogen Microbiology and Immunology Institute of MicrobiologyChinese Academy of SciencesBeijing100101China

The emergence of influenza virus A pandemic H1N1 in April 2009 marked the first pandemic of the 21st *** this study,we observed significant differences in the polymerase activities of two clinical 2009 H1N1 influenza A virus isolates from Chinese and Japanese *** comparison of the three main protein subunits(PB2,PB1,and PA)of the viral RNA-dependent RNA polymerase complex and subsequent mutational analysis revealed that a single amino acid substitution(E206K)was responsible for the observed impaired replication *** in vitro experiments showed that presence of PAE206K decreased the replication of influenza A/WSN/33 virus in mammalian cells and a reduction in the virus’s pathogenicity in *** studies revealed that PAE206K is a temperature-sensitive mutant associated with the inability to transport PB1–PA complex to the nucleus at high temperature(39.5℃).Hence,this naturally occurring variant in the PA protein represents an ideal candidate mutation for the development of live attenuated influenza vaccines.

关键词： H1N1 Influenza A virus Polymerase acidic protein Point mutation Viral replication

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Diffusion of nanochannel-confined knot along a tensioned polymer

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Communications in Theoretical Physics 2024年第4期76卷 158-166页

作者： Guobing Cai Yong li Yuyu Feng Zhouhui deng Yanhui liu College of Physics Guizhou UniversityGuiyang 550025China Kechuang Industrial Development Company limited Guian New AreaGuiyang 550025China State Key Laboratory of Public Big Data Guizhou UniversityGuiyang 550025China

The knots frequently occur in biopolymer and their diffusion plays an active role in the gene *** this work,Langevin dynamics simulations were carried out to detect the diffusion behaviours of a knot along a tensioned polymer in different spatial *** polymer accommodating a knot was tethered to two macrospheres to block the unravelling of the *** a result,the curves for the diffusion coefficients of the knot with different bending stiffness as a function of the tension in different spatial constraints were *** the space without constraints or with weak constraints,the corresponding curves for the knot with relatively large bending stiffness exhibited two turnover *** the contrary,for the knot with relatively small bending stiffness,the diffusion coefficients were monotonically reduced with increasing ***,in a space with strong constraints,all the curves showed one turnover behaviour regardless of the bending *** turnover behaviours divided the curves into different regimes,and the dominant diffusion mechanisms in the regimes,namely,knot-region breathing,self-reptation,and internal friction,were clearly *** effective friction coefficientsξof the knots with 3_(1),4_(1),5_(1) and 5_(2) types as a function of the knot size N at a fixed tension were well fitted by the relationξ∝*** effective friction coefficients of the knots at relatively large tension f>3 sharply increased with the knot complexity,which is not dependent on the spatial *** contrast,the values of these coefficients at relatively small tension f≤3 were remarkably dependent on the spatial *** work not only provides valuable simulation results to assist the understanding of the diffusion of DNA knot,but also highlights the single-molecule design for the manipulation of DNA knots in future.

关键词： knot langevin dynamics simulations diffusion coefficient self-reptation knot-region breathing internal friction

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Carbon steel anticorrosion performance and mechanism of sodium lignosulfonate

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Rare Metals 2024年第1期43卷 356-365页

作者： Bo-Kai liao Rui-Xuan quan Ping-Xian Feng Huan Wang Wei Wang li Niu School of Chemistry and Chemical Engineering Guangzhou Key Laboratory of Sensing Materials and DevicesJoint Institute of Guangzhou University and Institute of Corrosion Science and TechnologyGuangzhou UniversityGuangzhou 510006China

lignin is a typical biological macromolecule with a three-dimensional network structure and abundant functional groups. It has excellent ionic complexation ability and amphiphilic molecular structure *** this study, the carbon steel anticorrosion performance of sodium lignosulfonate(SLS) in an acid solution was evaluated using the weight loss method, electrochemical measurements, scanning vibration electrode technique(SVET), and surface characterization methods. SLS exhibited excellent corrosion inhibition efficiency for Q235carbon steel in 1 mol·L^(-1) HCl, reaching a maximum value of 98%. A low SLS concentration of 20 mg·L^(-1) resulted in the maximum corrosion inhibition efficiency, which remained nearly constant at higher SLS *** SVET test demonstrated that the formation of an SLS adsorption film can impede corrosion. This study confirms the significance of the application of green biomass resources in the field of metal corrosion protection and green functional materials.

关键词： lignin Sodium lignosulfonate Corrosion inhibitor Carbon Steel

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Electrochemical Oxygen Evolution Performance of Nitrogen-Doped Ultra-Thin Carbon Nanosheets Composite Ru1Co Single Atom Alloy Catalysts

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Chinese Journal of Chemistry 2024年第9期42卷 973-979页

作者： Ziwei deng Zhiyi Sun Yaqiong li Jiajing Pei Wenxing Chen Energy&Catalysis Center Schoolof Materials Science and EngineeringBeijing Institute of TechnologyBeijing 100081China Beijing Synchrotron Radiation Facility Institute of High Energy PhysicsChinese Academy of SciencesBeijing 00049China

Energy transformation is imminent,and hydrogen energy is one of the important new energy *** of the keys to increasing the rate of hydrogen evolution during electrolysis is the use of high-performance catalysts for oxygen evolution reactions(OER).Single-atom alloys(SAAs)have garnered significant attention because they partially reduce costs and combine the advantages of both single-atom catalysts(SACs)and alloy ***,an efficient pyrolysis strategy based on a mixing and drying process is designed to anchor ultra-small Co cluster particles,combined with Ru single atoms dispersed on nitrogen-doped ultra-thin carbon nanosheets(Ru_(1)Co SAA/NC).The prepared electrocatalyst exhibits superior OER activity and superb stability,demonstrating an overpotential of 238 mV for OER with a current density of 10 mA·cm^(-2) in 0.5 mol/L H_(2)SO_(4).And we also utilized in-situ XAS to detect the oxidation state of Ru sites during *** in all,this method achieves cost reductions and efficiency improvements through the design of SAAs,offering new prospects for the structural transformation of clean energy.

关键词： Oxygen evolution reaction Single alloy catalyst Ultra-thin carbon nanosheets Electrocatalyst Pyrolysis RuiCo SAA/NC

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Dual-aligned porous electrodes for enhanced hydrogen evolution in alkaline water electrolysis

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Nano Research 2024年第5期17卷 3835-3843页

作者： Yuqi Zhang Wenzhi Cui Longjian li Chongbo Wang Chen Zhan Xiaojun quan School of Energy and Power Engineering Chongqing UniversityChongqing 400030China Key Laboratory of Low-grade Energy Utilization Technologies and Systems Chongqing UniversityChongqing 400030China School of Mechanical Engineering Shanghai Jiao-Tong UniversityShanghai 200240China

The efficiency of water electrolysis is significantly affected by the bubbles on the surface and inside the *** enhance the gas-liquid transfer within the porous electrodes,we developed an innovative design termed dual-aligned porous electrode(D-APE),achieved by integrating magnetic alignment with freeze casting *** paper investigates the hydrogen evolution performance of porous electrodes prepared using four different methods:evaporation,magnetic-aligned evaporation,freeze casting,and dual-aligned *** findings demonstrate that the magnetic-aligned process effectively alters the electrode structure,resulting in improved hydrogen evolution ***,among all the examined electrodes,the D-APE exhibits the highest hydrogen evolution performance,with further enhancements observed with prolonged the time of magnetic ***,a comparison is made between electrodes prepared using the freeze casting method and the dual-aligned method at various *** results show that the thinner D-APE exhibits excellent hydrogen evolution performance at high current ***,the D-APE demonstrates significantly improved material utilization rates compared to the conventional freeze casting method,offering promising prospects for enhancing the efficiency of water electrolysis.

关键词： hydrogen evolution reaction dual-aligned magnetic-aligned freeze casting

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Programmable repulsive potential for tight-binding from Chen-Möbius inversion theorem

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Science China(Physics,Mechanics & Astronomy) 2024年第1期67卷 71-83页

作者： Jian-Gao li Jin-Kun Tang Hong-quan Song Gotthard Seifert Dong-Bo Zhang College of Nuclear Science and Technology Beijing Normal UniversityBeijing 100875China Department of Physics Beijing Normal UniversityBeijing 100875China College of Physics and Telecommunication Engineering Zhoukou Normal UniversityZhoukou 466001China Theoretische Chemie Technische Universität DresdenDresden D-01062Germany

An accurate total energy calculation is essential in materials *** date,many tight-binding(TB)approaches based on parameterized hopping can produce electronic structures comparable to those obtained using first-principles ***,TB approaches still have limited applicability for determining material properties derived from the total *** is,the predictive power of the TB total energy is impaired by an inaccurate evaluation of the repulsive *** complexity associated with the parametrization of TB repulsive potentials is the weak link in this *** this study,we propose a new method for obtaining the pairwise TB repulsive potential for crystalline materials by employing the Chen-Möbius inversion *** show that the TB-based phonon dispersions,calculated using the resulting repulsive potential,compare well with those obtained by first-principles calculations for various systems,including covalent and ionic bulk materials and twodimensional *** present approach only requires the first-principles total energy and TB electronic band energy as input and does not involve any *** striking feature enables us to generate repulsive potentials programmatically.

关键词： tight binding first-principles calculation total energy repulsive potential phonon dispersion

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Response of maize growth and soil biological characteristics to planting density under fertigation in a semi-arid region

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International Journal of Agricultural and Biological Engineering 2024年第2期17卷 186-192页

作者： Peng Jiang Lei li Dejia Xu Rui Wang quan Sun School of Forestry and Prataculture Ningxia UniversityYinchuan 750021China Institute of Agricultural Resources and Environment Ningxia Academy of Agriculture and Forestry SciencesYinchuan 750002China School of Agriculture Ningxia UniversityYinchuan 750021China

Increasing the planting density can exacerbate crop competition for water,nutrients and space which results in a decline in the crop ***,the effect of increasing planting density on crop growth and soil biological characteristics in barren sandy land in the semi-arid regions are still *** this study,we investigated the effects of six planting densities(5.4×10^(4),6.45×10^(4),7.95×10^(4),9.5×10^(4),9.75×10^(4) and 10.5×10^(4) plants/hm^(2))on maize growth,photosynthesis characteristics,yield and soil biological characteristics in barren sandy soil in the semi-arid region of Ningxia,*** results indicated that the stem diameter and spike length decreased linearly with increasing planting *** plant height,spike weight,grain weight and 100-grain weight decreased with increasing plating ***,the root length increased with increasing planting *** diameter,volume and activity increased and then decreased with increasing planting *** was no significant difference(p>0.05)in the effect of planting density on transpiration rate intercellular CO_(2) *** well,the soil microbial biomass carbon and microbial biomass nitrogen decreased with increasing planting *** soil catalase activities increased and then decreased with increasing planting *** alkaline phosphatase activity,the amounts of soil bacteria and actinomycetes increased with increasing planting ***,a moderately increasing planting density can improve maize yield when water and nutrients are *** optimal planting density was 8.29×10^(4) plants/hm^(2) and the highest yield was 15.84 t/hm^(2) in barren sandy soil in semi-arid region of Ningxia,*** study provides a theoretical basis for high yield and high efficiency of maize.

关键词： maize growth planting density yield fertigation soil enzyme activity

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