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Nuclear Science and Techniques 2024年第3期35卷 198-207页

作者： Yang Su Ze-Yu Li Li-Le Liu Guo-Xiang Dong Xiao-Bao Wang Yong-Jing Chen China Nuclear Data Center China Institute of Atomic EnergyBeijing 102413China School of Science Huzhou UniversityHuzhou 313000China

Using the Skyrme density functional theory,potential energy surfaces of^(240)Pu with constraints on the axial quadrupole and octupole deformations(q_(20)and q_(30))were *** volume-like and surface-like pairing forces,as well as a combination of these two forces,were used for the Hartree–Fock–Bogoliubov *** in the least-energy fission path,fission barrier,pairing energy,total kinetic energy,scission line,and mass distribution of the fission fragments based on the different forms of the pairing forces were analyzed and *** fission dynamics were studied based on the timedependent generator coordinate method plus the Gaussian overlap *** results demonstrated a sensitivity of the mass and charge distributions of the fission fragments on the form of the pairing *** on the investigation of the neutron-induced fission of^(239)Pu,among the volume,mixed,and surface pairing forces,the mixed pairing force presented a good reproduction of the experimental data.

关键词： Nuclear fission Density functional theory Pairing force Potential energy surfaces Fission fragment distribution

Effect of fore/aft-loaded rotor on compressor stability under inlet circumferential distortion

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Chinese Journal of Aeronautics 2024年第5期37卷 199-213页

作者： Dakun SUN Benhao GU Fangfei NING Dengke XU Xiaofeng SUN School of energy and Power Engineering Beihang UniversityBeijing 102206China Research institute of Aero-engine Beihang UniversityBeijing 102206China

A modified small perturbation stability prediction model for axial compressors with circumferential inlet distortions is established and applied to investigate the effect of fore/aft-loaded rotor on compressor stability under circumferentially distorted inlet *** inlet total pressure distribution downstream of the distortion screen is measured in experiments and employed for simulations which are implemented via time-space spectral *** stall inception prediction results via the stability model indicate that the compressor with aft-loaded rotor not only performs better in terms of stability under uniform inlet,but also maintains a larger stability margin under circumferentially distorted *** experiments for compressors with fore-loaded and aft-loaded rotor are respectively carried *** results validate the reliability of numerical simulations and the predicted conclusion that the aft-loaded rotor is beneficial for compressor ***,the ability of the developed theoretical model for compressor stability prediction under circumferential distortions is *** addition,dynamic pressure signals at rotor tip measured in experiments illustrate that the circumferential distortion has little effect on the compressor stall pattern.

关键词： Axial compressor stability Inlet distortion Blade loading Small perturbation Time-space spectral method

A Molecular-Sieving Interphase Towards Low-Concentrated Aqueous Sodium-Ion Batteries

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Nano-Micro Letters 2024年第8期16卷 51-63页

作者： Tingting Liu Han Wu Hao Wang Yiran Jiao Xiaofan Du Jinzhi Wang Guangying Fu Yaojian Zhang Jingwen Zhao Guanglei Cui Qingdao Industrial energy Storage Research institute Qingdao Institute of Bioenergy and Bioprocess TechnologyChinese Academy of SciencesQingdao 266101People’s Republic of China Center of Materials Science and Optoelectronics Engineering University of Chinese Academy of SciencesBeijing 100049People’s Republic of China School of Chemical Engineering and Advanced Materials The University of AdelaideAdelaideSA 5005Australia Shandong energy institute Qingdao 266101People’s Republic of China Qingdao New energy Shandong Laboratory Qingdao 266101People’s Republic of China

Aqueous sodium-ion batteries are known for poor rechargeability because of the competitive water decomposition reactions and the high electrode *** have been reported by saltconcentrated and organic-hybridized electrolyte designs,however,at the expense of cost and ***,we report the prolonged cycling of ASIBs in routine dilute electrolytes by employing artificial electrode coatings consisting of NaX zeolite and NaOH-neutralized perfluorinated sulfonic *** as-formed composite interphase exhibits a molecularsieving effect jointly played by zeolite channels and size-shrunken ionic domains in the polymer matrix,which enables high rejection of hydrated Na^(+)ions while allowing fast dehydrated Na^(+)*** this coating to electrode surfaces expands the electrochemical window of a practically feasible 2 mol kg^(-1) sodium trifluoromethanesulfonate aqueous electrolyte to 2.70 V and affords Na_(2)MnFe(CN)_(6)//NaTi_(2)(PO_(4))_(3) full cells with an unprecedented cycling stability of 94.9%capacity retention after 200 cycles at 1 *** with emerging electrolyte modifications,this molecular-sieving interphase brings amplified benefits in long-term operation of ASIBs.

关键词： Molecular sieving effect Electrode coatings Aqueous sodium ion batteries Dilute aqueous electrolytes

Simultaneous removal of 1,2-dichlorobenzene and furan over Mn-Ce-Fe oxide catalyst:Catalytic activity and product analysis

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Journal of Rare Earths 2024年第5期42卷 972-979,I0006页

作者： Juan Qiu Minghui Tang Yaqi Peng Xuanhao Guo Shengyong Lu Jianhua Yan Taizhou institute of Zhejiang University Taizhou 318000China State Key Laboratory for Clean energy Utilization Institute for Thermal Power EngineeringZhejiang UniversityHangzhou 310027China

The Mn-Ce-Fe mixed oxide(MCFe)was prepared by co-precipitation and the catalytic performance was tested by using 1,2-dichlorobenzene(1,2-DCB)and furan as model molecules of PCDD/*** effect of O_(2)concentration,SO_(2) and NO on the catalytic activity was *** 270℃,the MCFe oxide catalyst presents significant simultaneous removal efficiency of 75.25%and 100%for 1,2-DCB and furan,***-Emmett-Teller(BET)method(BET),X-ray diffraction(XRD),scanning electron microscopy(SEM),X-ray photoelectron spectroscopy(XPS),Fourier transform infrared spectroscopy(FTIR),H_2-temperature programmed reduction(H_(2)-TPR),NH_(3)-temperature programmed desorption(NH_3-TPD)and O_(2)-TPD were used to characterize the catalysts before and after the *** tests suggest that the oxidation behavior of furan occurred prior to that of 1,*** to the intermediate products detected by gas chromatography-mass spectrometry(GC-MS),the by-products include chlorinated hydrocarbons,long-chain hydrocarbons,ketone,*** catalytic oxidation reaction paths are proposed.

关键词： 1 2-dichlorobenzene Furan Catalytic oxidation Product analysis Rare earths

Nano-Au-decorated hierarchical porous cobalt sulfide derived from ZIF-67 toward optimized oxygen evolution catalysis:Important roles of microstructures and electronic modulation

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Carbon energy 2024年第5期6卷 1-14页

作者： Hongyu Gong Guanliang Sun Wenhua Shi Dongwei Li Xiangjun Zheng Huan Shi Xiu Liang Ruizhi Yang Changzhou Yuan Department of New energy Materials School of Environmental and Chemical EngineeringJiangsu University of Science and TechnologyZhenjiangJiangsuChina Advanced Materials institute Qilu University of Technology(Shandong Academy of Sciences)JinanShandongChina Shandong Saikesaisi Hydrogen energy Co. Ltd.JinanShandongChina Department of Materials Science and Engineering School of Materials Science&EngineeringUniversity of JinanJinanShandongChina Department of New energy Science and Engineering College of EnergySoochow Institute for Energy and Materials InnovationsSoochow UniversitySuzhouJiangsuChina

Enhancing both the number of active sites available and the intrinsic activity of Co-based electrocatalysts simultaneously is a desirable ***,a ZIF-67-derived hierarchical porous cobalt sulfide decorated by Au nanoparticles(NPs)(denoted as HP-Au@CoxSy@ZIF-67)hybrid is synthesized by low-temperature sulfuration *** well-defined macroporous-mesoporous-microporous structure is obtained based on the combination of polystyrene spheres,as-formed CoxSy nanosheets,and ZIF-67 *** novel three-dimensional hierarchical structure significantly enlarges the three-phase interfaces,accelerating the mass transfer and exposing the active centers for oxygen evolution *** electronic structure of Co is modulated by Au through charge transfer,and a series of experiments,together with theoretical analysis,is performed to ascertain the electronic modulation of Co by ***,HP-Au@CoxSy@ZIF-67 catalysts with different amounts of Au were synthesized,wherein Au and NaBH4 reductant result in an interesting“competition effect”to regulate the relative ratio of Co^(2+)/Co^(3+),and moderate Au assists the electrochemical performance to reach the highest ***,the optimized HP-Au@CoxSy@ZIF-67 exhibits a low overpotential of 340 mV at 10 mA cm^(-2)and a Tafel slope of 42 mV dec-1 for OER in 0.1 M aqueous KOH,enabling efficient water splitting and Zn-air battery *** work here highlights the pivotal roles of both microstructural and electronic modulation in enhancing electrocatalytic activity and presents a feasible strategy for designing and optimizing advanced electrocatalysts.

关键词： Au nanoparticles cobalt sulfide electronic modulation hierarchical porous structure oxygen evolution reaction

Vacancy defect MoSeTe embedded in N and F co-doped carbon skeleton for high performance sodium ion batteries and hybrid capacitors

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Journal of energy Chemistry 2024年第3期90卷 652-664,I0014页

作者： Dehui Yang Wentao Guo Fei Guo Jiaming Zhu Gang Wang Hui Wang Guanghui Yuan Shenghua Ma Beibei Wang State Key Laboratory of Photon-Technology in Western China energy International Collaborative Center on Photoelectric Technology and Nano Functional MaterialsInstitute of Photonics&Photon-TechnologyNorthwest UniversityXi’an 710127ShannxiChina Key Laboratory of Synthetic and natural Functional Molecule Chemistry(Ministry of Education) College of Chemistry&Materials ScienceNorthwest UniversityXi’an 710127ShannxiChina School of Chemistry and Chemical Engineering Ankang Research Centre of New Nano-materials Science and TechnologyShaanxi University Innovation Research Institute of Advanced Energy Storage Materials and Battery Technology for Future IndustrializationAnkang UniversityAnkang 725000ShannxiChina

Sodium-ion batteries(SIBs) and hybrid capacitors(SIHCs) have garnered significant attention in energy storage due to their inherent advantages,including high energy density,cost-effectiveness,and enhanced ***,developing high-performance anode materials to improve sodium storage performa nce still remains a major ***,a facile one-pot method has been developed to fabricate a hybrid of MoSeTe nanosheets implanted within the N,F co-doped honeycomb carbon skeleton(MoSeTe/N,F@C).Experimental results demonstrate that the incorporation of large-sized Te atoms into MoSeTe nanosheets enlarges the layer spacing and creates abundant anion vacancies,which effectively facilitate the insertion/extraction of Na^(+) and provide numerous ion adsorption sites for rapid surface capacitive ***,the heteroatoms N,F co-doped honeycomb carbon skeleton with a highly conductive network can restrain the volume expansion and boost reaction kinetics within the *** anticipated,the MoSeTe/N,F@C anode exhibits high reversible capacities along with exceptional cycle *** coupled with Na_(3)V_(2)(PO_(4))_(3)@C(NVPF@C) to form SIB full cells,the anode delivers a reversible specific capacity of 126 mA h g^(-1) after 100 cycles at 0.1 A g^(-1).Furthermore,when combined with AC to form SIHC full cells,the anode demonstrates excellent cycling stability with a reversible specific capacity of50 mA h g^(-1) keeping over 3700 cycles at 1.0 A g^(-1).In situ XRD,ex situ TEM characterization,and theoretical calculations(DFT) further confirm the reversibility of sodium storage in MoSeTe/N,F@C anode materials during electrochemical reactions,highlighting their potential for widespread practical *** work provides new insights into the promising utilization of advanced transition metal dichalcogenides as anode materials for Na^(+)-based energy storage devices.

关键词： MoSeTe N F co-doped honeycomb carbon skeleton Sodium-ion batteries Sodium-ion hybrid capacitor

Incorporating empirical knowledge into data-driven variable selection for quantitative analysis of coal ash content by laser-induced breakdown spectroscopy

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Plasma Science and Technology 2024年第7期26卷 148-156页

作者：吕一涵宋惟然侯宗余王哲 State Key Laboratory of Power System Operation and Control International Joint Laboratory on Low Carbon Clean Energy InnovationDepartment of Energy and Power EngineeringTsinghua UniversityBeijing 100084People’s Republic of China School of energy and Electrical Engineering Qinghai UniversityXining 810016People’s Republic of China Tsinghua University Shanxi Research Institute Clean EnergyTaiyuan 030032People’s Republic of China

Laser-induced breakdown spectroscopy(LIBS)has become a widely used atomic spectroscopic technique for rapid coal ***,the vast amount of spectral information in LIBS contains signal uncertainty,which can affect its quantification *** this work,we propose a hybrid variable selection method to improve the performance of LIBS *** variables are first identified using Pearson's correlation coefficient,mutual information,least absolute shrinkage and selection operator(LASSO)and random forest,and then filtered and combined with empirical variables related to fingerprint elements of coal ash ***,these variables are fed into a partial least squares regression(PLSR).Additionally,in some models,certain variables unrelated to ash content are removed manually to study the impact of variable deselection on model *** proposed hybrid strategy was tested on three LIBS datasets for quantitative analysis of coal ash content and compared with the corresponding data-driven baseline *** is significantly better than the variable selection only method based on empirical knowledge and in most cases outperforms the baseline *** results showed that on all three datasets the hybrid strategy for variable selection combining empirical knowledge and data-driven algorithms achieved the lowest root mean square error of prediction(RMSEP)values of 1.605,3.478 and 1.647,respectively,which were significantly lower than those obtained from multiple linear regression using only 12 empirical variables,which are 1.959,3.718 and 2.181,*** LASSO-PLSR model with empirical support and 20 selected variables exhibited a significantly improved performance after variable deselection,with RMSEP values dropping from 1.635,3.962 and 1.647 to 1.483,3.086 and 1.567,*** results demonstrate that using empirical knowledge as a support for datadriven variable selection can be a viable approach to improve the acc

关键词： laser-induced breakdown spectroscopy(LIBS) coal ash content quantitative analysis variable selection empirical knowledge partial least squares regression(PLSR)

The energy response of LaBr_(3)(Ce),LaBr_(3)(Ce,Sr),and NaI(Tl)crystals for GECAM

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Nuclear Science and Techniques 2024年第2期35卷 110-122页

作者： Pei-Yi Feng Xi-Lei Sun Zheng-Hua An Yong Deng Cheng-Er Wang Huang Jiang Jun-Jie Li Da-Li Zhang Xin-Qiao Li Shao-Lin Xiong Chao Zheng Ke Gong Sheng Yang Xiao-Jing Liu Min Gao Xiang-Yang Wen Ya-Qing liu Yan-Bing Xu Xiao-Yun Zhao Jia-Cong Liu Fan Zhang Hong Lu Particle and Astrophysics Center Institute of High Energy PhysicsChinese Academy of SciencesBeijing 100049China Key Laboratory of Particle Astrophysics Institute of High Energy PhysicsChinese Academy of SciencesBeijing 100049China University of Chinese Academy of Sciences Chinese Academy of SciencesBeijing 100049China Experimental Physics Center Institute of High Energy PhysicsChinese Academy of SciencesBeijing 100049China State Key Laboratory of Particle Detection and Electronics Institute of High Energy PhysicsChinese Academy of SciencesBeijing 100049China School of Nuclear Science and Technology University of South ChinaHengyang 421001China National Engineering Research Center for Rare Earth Grirem Advanced Materials Co.Ltd.and General Research Institute for Nonferrous MetalsBeijing 100088China

The GECAM series of satellites utilizes LaBr_(3)(Ce),LaBr_(3)(Ce,Sr),and NaI(Tl)crystals as sensitive materials for gamma-ray detectors(GRDs).To investigate the nonlinearity in the detection of low-energy gamma rays and address the errors in the calibration of the E-C relationship,comprehensive tests and comparative studies of the three aforementioned crystals were conducted using Compton electrons,radioactive sources,and mono-energetic *** nonlinearity test results of the Compton electrons and X-rays demonstrated substantial differences,with all three crystals presenting a higher nonlinearity for X/-rays than for Compton *** the LaBr_(3)(Ce)and LaBr_(3)(Ce,Sr)crystals having higher absolute light yields,they exhibited a noticeable nonlinear decrease in the light yield,especially at energies below 400 *** NaI(Tl)crystal demonstrated an"excess"light output in the 6-200 keV range,reaching a maximum"excess"of 9.2%at 30 keV in the X-ray testing and up to 15.5%at 14 keV during Compton electron testing,indicating a significant advantage in the detection of low-energy gamma ***,we explored the underlying causes of the observed nonlinearity in these *** study not only elucidates the detector responses of GECAM,but also initiates a comprehensive investigation of the nonlinearity of domestically produced lanthanum bromide and sodium iodide crystals.

关键词： LaBr_(3)(Ce)detector LaBr_(3)(Ce,Sr)detector NaI(Tl)detector GECAM energy response Light yield nonlinearity

Novel phenanthrene/bibenzyl trimers from the tubers of Bletilla striata attenuate neuroinﬂammation via inhibition of NF-κB signaling pathway

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Chinese Journal of natural Medicines 2024年第5期22卷 441-454页

作者： SHAO Siyuan SUN Mohan MA Xianjie JIANG Jianwei TIAN Jinying ZHANG Jianjun YE Fei LI Shuai State Key Laboratory of Bioactive Substance and Function of natural Medicines Institute of Materia MedicaChinese Academy of Medical Sciences and Peking Union Medical CollegeBeijing 100050China

Five novel(9,10-dihydro)phenanthrene and bibenzyl trimers,as well as two previously identified biphenanthrenes and bibenzyls,were isolated from the tubers of Bletilla *** structures were elucidated through comprehensive analyses of NMR and HRESIMS spectroscopic *** absolute configurations of these compounds were determined by calculating rotational energy barriers and comparison of experimental and calculated ECD *** 5b and 6 exhibited inhibitory effects on LPS-induced NO production in BV-2 cells,with IC_(50) values of 12.59±0.40 and 15.59±0.83μmol·L^(-1),respectively.A mechanistic study suggested that these compounds may attenuate neuroinflammation by reducing the activation of the AKT/IκB/NF-κB signaling ***,compounds 3a,6,and 7 demonstrated significant PTP1B inhibitory activities,with IC_(50) values of 1.52±0.34,1.39±0.11,and 1.78±0.01μmol·L^(-1),*** investigation revealed that compound 3a might inhibit LPS-induced PTP1B overexpression and NF-κB activation,thereby mitigating the neuroinflammatory response in BV-2 cells.

关键词： Bletilla striata Phenanthrene/bibenzyl trimer NO inhibition AKT/IκB/NF-κB signaling pathway PTP1B inhibitory effect

Identifying the Active Site of Water Oxidation Catalyst Based on Defective Fe-Doped Ni Oxyhydroxide

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CCS Chemistry 2024年第2期6卷 365-376页

作者： Yunxuan Ding Jian Du Tao Wang Licheng Sun institute of natural Sciences Westlake Institute for Advanced StudyHangzhou 310024 Center of Artificial Photosynthesis for Solar Fuels Department of ChemistrySchool of ScienceWestlake UniversityHangzhou 310024

Electrochemical water splitting plays a crucial role in storing sustainable energy into H2 as an ideal fuel,in which the anodic oxygen evolution reaction(OER)is the ***,Fe-doped NiOOH(Ni_(1−x)Fe_(x)OOH)is a promising OER catalyst under alkaline ***,the specific active sites responsible for their good performances remain ***,we identify a nickel-oxygen radical(Ni–O·)and an iron-oxo(Fe=O)group as two essential states for adsorbed ***,both thermochemical O–O coupling and electrochemical OER elementary steps are considered on the Ni_(1−x)Fe_(x)OOH *** mechanistic studies with a combined density functional theory simulation and experimental analysis unravel that both the Ni and Fe centers can act as the active sites for the defective Ni_(1−x)Fe_(x)OOH to catalyze OER,depending on the nature of the *** presence of Fe can benefit the stabilization of the defective surface and influence the electronic property of the nearby Ni *** work not only identifies the intrinsic active sites of Ni_(1−x)Fe_(x)OOH,but also illustrates the essential roles of defects in catalysis,which sheds light on the design of more efficient OER catalysts in the future.

关键词： defect water nucleophilic attack oxygen evolution reaction heterogeneous catalysis density functional calculations