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Chinese Physics Letters 2024年第5期41卷 17-22页

作者：金无维王春成赵晓戈杨译章任殿相刘泽槿李孝开罗嗣佐丁大军 Institute of atomic and Molecular Physics Jilin UniversityChangchun 130012China Jilin Provincial Key laboratory of Applied atomic and Molecular Spectroscopy Jilin UniversityChangchun 130012China

Ethylene, the simplest model of a carbon-carbon double bond system, is pivotal in numerous chemical and biological processes. By employing intense infrared laser pump-probe techniques alongside coincidence measurements, we investigate the ultrafast non-adiabatic dynamics involved in the breakage of carbon-carbon double bonds and hydrogen elimination in dissociation of ethylene. Our study entails analyzing the dynamic kinetic energy release spectra to assess three bond-breaking scenarios, movements of nuclei, and structural changes around the carbon atoms. This allows us to evaluate the relaxation dynamics and characteristics of various dissociative states. Notably, we observe a significant rise in the yield of fragments resulting from C–H bond breakage with the delay time extended, suggesting non-adiabatic coupling through conical intersections from C–C bond breakage as a probable cause.

关键词： pump Femto adiabatic

Cu-optimized long-range interaction between Co nanoparticles and Co single atoms:Improved Fenton-like reaction activity

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Science Bulletin 2024年第16期69卷 2529-2542页

作者： Fan Mo Zelin Hou Qixing Zhou Xixi Chen Weitao Liu Wendan Xue Qi Wang Jianling Wang Tong Zheng Zongxin Tao Key laboratory of Pollution processes and Environmental Criteria(Ministry of Education)/Tianjin Key laboratory of Environmental Remediation and Pollution Control Carbon Neutrality Interdisciplinary Science CenterCollege of Environmental Science and EngineeringNankai UniversityTianjin 300350China National Engineering Research Center of Pesticide Nankai UniversityTianjin 300350China

The interplay between multi-atom assembly configurations and single atoms(SAs)has been gaining attention in ***,the effect of long-term range interactions between SAs and multi-atom assemblies on the orbital filling characteristics has yet to be *** this context,we introduced copper(Cu)doping to strengthen the interaction between cobalt(Co)nanoparticles(NPs)and Co SAs by promoting the spontaneous formation of Co-Cu alloy NPs that tends toward aggregation owing to its negative cohesive energy(-0.06454),instead of forming Cu *** incorporation of Cu within the Co-Cu alloy NPs,compared to the pure Co NPs,significantly expedites the kinetics of peroxymonosulfate(PMS)oxidation processes on Co *** Co NPs,Co-Cu NPs facilitate electron rearrangement in the d orbitals(especially dz^(2)and dxz)near the Fermi level in Co SAs,thereby optimizing the dz^(2)-O(PMS)and dxz-O(SO_(5)^(-))orbital ***,the Co-Cu alloy NPs embedded in nitrogen-doped carbon(CC@CNC)catalysts rapidly eliminated 80.67% of 20 mg L^(-1)carbamazepine(CBZ)within 5 *** performance significantly surpasses that of catalysts consisting solely of Co NPs in a similar matrix(C@CNC),which achieved a 58.99% reduction in 5 *** quasi in situ characterization suggested that PMS acts as an electron donor and will transfer electrons to Co SAs,generating^(1)O_(2)for contaminant *** study offers valuable insights into the mechanisms by which composite active sites formed through multi-atom assembly interact at the atomic orbital level to achieve high-efficiency PMS-based advanced oxidation processes at the atomic orbital level.

关键词： Spontaneous alloying Co-Cu alloy NPs Co SAs Synergism Orbital electron filling

State-selective charge exchange cross sections in collisions of highly-charged sulfur ions with helium and molecular hydrogen

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Chinese Physics B 2024年第2期33卷 29-33页

作者：朱小龙崔述成邢大地徐佳伟 B.Najjari 赵冬梅郭大龙高永张瑞田苏茂根张少锋马新文 Institute of Modern Physics Chinese Academy of SciencesLanzhou 730000China School of Nuclear Science and Technology University of Chinese Academy of SciencesBeijing 100049China Key laboratory of atomic and Molecular Physics and Functional Materials of Gansu Province College of Physics and Electronic EngineeringNorthwest Normal UniversityLanzhou 730070China Joint laboratory of atomic and Molecular Physics Northwest Normal University and Institute of Modern PhysicsChinese Academy of SciencesLanzhou 730070China Advanced Energy Science and Technology Guangdong LaboratoryHuizhou 516000China

The state-selective cross section data are useful for understanding and modeling the x-ray emission in celestial *** the present work,using the cold target recoil ion momentum spectroscopy,for the first time we investigated the state-selective single electron capture processes for S^(q+)–He and H_(2)(q=11–15)collision systems at an impact energy of q×20 keV and obtained the relative state-selective cross *** results indicate that only a few principal quantum states of the projectile energy level are populated in a single electron capture *** particular,the increase of the projectile charge state leads to the population of the states with higher principal quantum *** is also shown that the experimental averaged n-shell populations are reproduced well by the over-barrier *** database is openly available in Science Data Bank at 10.57760/sciencedb.j00113.00091.

关键词： highly charged sulfur ion charge exchange state-selective cross sections COLTRIMS

Theoretical investigation of excited dipole bound states of alkali-containing diatomic anions

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Chinese Physics B 2024年第5期33卷 389-393页

作者：连艺肖利丹边丽丽徐海峰闫冰 Institute of atomic and Molecular Physics Jilin UniversityChangchun 130012China

Information about electronic excited states of molecular anions plays an important role in investigating electron attachment and detachment *** we present a high-level theoretical study of the electronic structures of 12 alkali-metal-containing diatomic anions MX-(MX = LiH,LiF,LiCl,NaF,NaCl,NaBr,RbCl,KCl,KBr,RbI,KI and CsI).The equation-of-motion electron-attachment coupled-cluster singles and doubles(EOM-EA-CCSD) method is used to calculate the electron binding energies(EBEs) of 10 electronic excited states of each of the 12 molecule *** addition of different s-/p-/d-type diffusion functions in the basis set,we have identified possible excited dipole bound states(DBSs) of each *** the investigation of EBEs on the 12 MXs with dipole moment(DM) up to 12.1 D,we evaluate the dependence of the number of anionic excited DBSs on molecular *** results indicate that there are at least two or three DBSs of anions with a molecular DM larger than 7 D and a molecule with DM > 10 D can sustain a π-DBS of the *** study has some implications for the excited DBS electronic states of alkali-metal-containing diatomic molecules.

关键词： anions dipole bound states alkali-metal-containing diatomic molecules

Micelle-directed self-assembly of single-crystal-like mesoporous stoichiometric oxides for high-performance lithium storage

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National Science Review 2024年第4期11卷 195-205页

作者： Yanhua Wan Changyao Wang Xingmiao Zhang Yang Yin Mengmeng Liu Bing Ma Linlin Duan Yuzhu Ma Wei Zhang Changlin Zheng Dongliang Chao Fei Wang Yongyao Xia Wei Li Department of Chemistry Laboratory of Advanced Materials Shanghai Key Laboratory of Molecular Catalysis and Innovative Materials State Key Laboratory of Molecular Engineering of Polymers College of Chemistry and Materials ScienceFudan University State Key laboratory of Surface Physics and Department of Physics Fudan University

Due to their uncontrollable assembly and crystallization process,the synthesis of mesoporous metal oxide single crystals remains a formidable ***,we report the synthesis of single-crystal-like mesoporous Li2TiSiO5by using soft micelles as *** key lies in the atomic-scale self-assembly and step-crystallization processes,which ensure the formation of single-crystal-like mesoporous Li2TiSiO5microparticles via an oriented attachment growth mechanism under the confinement of an in-situ formed carbon *** mesoporous Li2TiSiO5anode achieves a superior rate capability(148 mAh g-1at5.0 A g-1) and outstanding long-term cycling stability(138 mAh g-1after 3000 cycles at 2.0 A g-1) for lithium storage as a result of the ultrafast Li+diffusion caused by penetrating mesochannels and nanosized crystal frameworks（5-10 nm）.In comparison,bulk Li2TiSiO5exhibits poor rate capability and cycle performance due to micron-scale diffusion *** method is very simple and reproducible,heralding a new way of designing and synthesizing mesoporous single crystals with controllable frameworks and chemical functionalities.

关键词： mesoporous materials micelles single-crystal-like Li2TiSiO5 lithium-ion batteries

Electron vortex generations in photoionization of hydrogen atoms by circularly-polarized chirped attosecond pulses

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Communications in Theoretical Physics 2024年第1期76卷 111-118页

作者： Bingshuang Zhang Xiaoyu Liu Fengzheng Zhu Liguang Jiao Aihua Liu Institute of atomic and Molecular Physics Jilin UniversityChangchun 130012China School of Mathematics and Physics Hubei Polytechnic UniversityHuangshi 435003China College of Physics Jilin UniversityChangchun 130012China Helmholtz-Institut Jena D-07743 JenaGermany State Key laboratory of Transient Optics and Photonics Chinese Academy of SciencesXi'an 710119China

By numerically solving the time-dependent Schr?dinger equation and employing the analytical perturbative model,we investigated the chirp-induced electron vortex in the photoionization of hydrogen atoms by a pair of counter-rotating circularly polarized chirped attosecond extremely ultraviolet *** demonstrated that single-photon ionization of hydrogen atoms generates photoelectron momentum distributions(PMDs)with distinct helical vortex structures either with or without a time delay between two counter-rotating circularly polarized laser *** structures are highly sensitive to both the time delay between the pulses and their chirp *** analytical model reveals that the splitting of vortex spirals is caused by the sign changing of the chirp-induced frequency-dependent time *** showed that to obtain the counterpart of the PMD under a pair of counter-rotating circularly polarized chirped pulses,both chirp parameters and ordering of pulses need to be reversed.

关键词： photoionization ultrafast processes ultrafast dynamics electron vortex

Atomistic mechanism of high ionic conductivity in lithium ytterbium-based halide solid electrolytes:A first-principles study

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Journal of Rare Earths 2024年第1期42卷 155-162,I0006页

作者： Limin Wang Wei Xiao Lu Sun Rong Yang Jinqiu Yu Ligen Wang State Key laboratory of Nonferrous Metals and processes China GRINM Group Co.Ltd.Beijing100088China GRIMAT Engineering Institute Co. Ltd.Beijing101407China General Research Institute for Nonferrous Metals Beijing100088China China Automotive Battery Research Institute Co. Ltd.Beijing101407China Rare Earth Functional Materials(Xiong'an)Innovation Center Co. Ltd.Xiong'an071700China

As the next generation of commercial automotive power batteries begins replacing liquid lithium batteries,many look towards all-solid-state batteries to pioneer the ***-so lid-state batteries have attracted the attention of countless researchers around the world because of their high safety and high energy *** recent times,halide solid-state electrolytes have become a research hotspot within solid-state electrolytes because of their potentially superior *** this paper,in the framework of DFT,we investigated the atomic mechanisms of improving the ionic conductivity and stability of Li_(3)YbCl_(6).Our calculations show that both trigonal and orthorhombic Li_(3)YbCl_(6) exhibit wide electrochemical windows and metastable properties(100 meV/atom>Ehull>0 meV/atom).However,the orthorhombic Li_(3)YbCl_(6) can be stabilized at high temperatures by taking the vibrational entropy into account,which is supported by the experimental ***,it is expected that because of the Yb/Li synergistic interactions that,due to their strong mutual coulomb repulsion,influence the Li^(+)transport behavior,the orthorhombic Li_(3)YbCl_(6) might have superior ionic conductivities with appropriate Li+migration paths determined by the Yb^(3+) ***,higher ionic conductivities can be obtained by regulating the random distribution of Li^(+) *** Li^(+)-deficiency can also largely increase the ionic conductivity by invoking *** study helps gain a deeper understanding of the laws that govern ionic conductivities and stabilities and provides a certain theoretical reference for the experimental development and design of halide solid-state electrolytes.

关键词： Halide solid-state electrolytes Phase stability Ionic conductivity First-principles calculations Rare earths

Theoretical analysis of the double-differential cross-sections of neutron,proton,deuteron,^(3)He,andαfor the p+^(6) Li reaction

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Nuclear Science and Techniques 2024年第3期35卷 181-197页

作者： Fang-Lei Zou Xiao-Jun Sun Jing-Shang Zhang Hai-Rui Guo Yin-Lu Han Rui-Rui Xu Xi Tao Ji-Min Wang Xiao-Dong Sun Yuan Tian Tao Ye Yong-Li Xu Chun-Tian Liang College of Physics Guangxi Normal University541004 GuilinChina Guangxi Key laboratory of Nuclear Physics and Nuclear Technology 541004 GuilinChina China Institute of atomic Energy P.O.Box 275(41)102413 BeijingChina Institute of Applied Physics and Computational Mathematics 10094 BeijingChina College of Physics and Electronic Shanxi Datong University037009 DatongChina School of Science Tianjin Chengjian University300384 TianjinChina

Based on the unified Hauser–Feshbach and exciton model,which can describe the particle emission processes between discrete energy levels with energy,angular momentum,and parity conservations,a statistical theory of light nucleus reaction(STLN)is developed to calculate the double-differential cross-sections of the outgoing neutron and light charged particles for the proton-induced^(6) Li reaction.A significant difference is observed between the p+^(6) Li and p+^(7) Li reactions owing to the discrepancies in the energy-level structures of the *** reaction channels,including sequential and simultaneous emission processes,are analyzed in *** the double-differential cross-sections of the outgoing proton as an example,the influence of contaminations(such as^(1) H,^(7)Li,^(12)C,and^(16)O)on the target is identified in terms of the kinetic energy of the first emitted *** optical potential parameters of the proton are obtained by fitting the elastic scattering differential *** calculated total double-differential cross-sections of the outgoing proton and deuteron at E_(p)=14 MeV agree well with the experimental data for different outgoing ***,the mixed double differential cross-sections of^(3) He andαare in good agreement with the *** agreement between the measured data and calculated results indicates that the two-body and three-body breakup reactions need to be considered,and the pre-equilibrium reaction mechanism dominates the reaction *** on the STLN model,a PLUNF code for the p+^(6) Li reaction is developed to obtain an ENDF-6-formatted file of the double-differential cross-sections of the nucleon and light composite charged particles.

关键词： Statistical theory of light nucleus reaction p+^(6)Li reaction Light composite charged particle Double-differential cross-sections Two-body breakup Three-body breakup

Physicochemical and Biochemical Characterization, Total Phenolic and Energy Value from Bulbs of Different Onion (Allium cepa L.) Varieties in Senegal

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Food and Nutrition Sciences 2024年第2期15卷 129-139页

作者： Ndeye Adiara Ndiaye Lahat Niang Modou Dieng Ndeye Coumba Kane Touré laboratory of Microbiology Graduate School Polytechnique (ESP)-UCAD Dakar Senegal Water Energy Environment and Industrial Processes Laboratory (LE3PI) Graduate School Polytechnique (ESP)-UCAD Dakar Senegal University Sine Saloum El Hadj Ibrahima Niass (USSEIN) Kaolack Senegal

The purpose of this study is to investigate the physicochemical properties of some local varieties of onion (Allium cepa L.) and compare them with an imported variety, all collected in May 2021. Proteins, reducing sugars, lipids, and polyphenol content were estimated according to the AFNOR standardized methods. The determination of calcium, magnesium, iron, sodium, potassium and phosphorus was performed by atomic absorption spectrophotometer coupled with a CCD detector. The results highlighted an average acidity of 0.377% ± 0.002% lower than the value of the imported variety which is 0.520% ± 0.001%. Local varieties have a pH ranging from 6.35 ± 0.003 to 6.42 ± 0.004, while the variety has a pH of 6.36 ± 0.003. The ash and dry matter contents vary respectively from 4.788% ± 0.004% to 8.253% ± 0.003% and 7.945% ± 0.021% to 11.945% ± 0.007% for the local varieties. Moreover, the imported one has ash and dry matter contents of 5.175% ± 0.007% and 10.035% ± 0.021% respectively. The results show that the protein, reducing sugar and lipid contents in the local onion varieties vary respectively from 2.815 ± 0.000 to 15.634 ± 0.001 g·100 g-1;4.691 ± 0.001 to 12.596 ± 0.002 g·100 g-1 and 0.006 ± 0.001 to 0.050 ± 0.057 g·100 g-1. Furthermore, the imported variety has a protein, reducing sugar and lipid content of 5.649 ± 0.002;8.565 ± 0.002 g·100 g-1 and 0.011 ± 0.010 g·100 g-1 respectively. The maximum levels of total polyphenols are obtained in the imported variety, Bellani and Gandiol, respectively 9.973 ± 0.001, 4.535 ± 0.002, and 3.425 ± 0.006 mg EAG/g of dry matter. The local varieties have a significant calorific intake of between 35.451 ± 0.001 and 112.980 ± 0.003 kcal·100 g-1 compared to the imported one with an energy value of 56.953 ± 0.001 kcal·100 g-1 of dry matter. The bulbs of different onion varieties studied have a fairly high content of mineral elements. The potassium content of loc

关键词： Allium cepa L. Characterization Physicochemical Biochemistry Total Phenolic

Bohmian trajectory perspective on strong field atomic processes

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Chinese Physics B 2020年第1期29卷 1-8页

作者： Xuan-Yang Lai Xiao-Jun Liu State Key laboratory of Magnetic Resonance and atomic and Molecular Physics Wuhan Institute of Physics and MathematicsInnovation Academy for Precision Measurement Science and TechnologyChinese Academy of SciencesWuhan 430071China

The interaction of an atom with an intense laser field provides an important approach to explore the ultrafast electron dynamics and extract the information of the atomic and molecular structures with unprecedented attosecond temporal and angstrom spatial resolution. To well understand the strong field atomic processes, numerous theoretical methods have been developed, including solving the time-dependent Schr ?dinger equation(TDSE), classical and semiclassical trajectory method, quantum S-matrix theory within the strong-field approximation, etc. Recently, an alternative and complementary quantum approach, called Bohmian trajectory theory, has been successfully used in the strong-field atomic physics and an exciting progress has been achieved in the study of strong-field phenomena. In this paper, we provide an overview of the Bohmian trajectory method and its perspective on two strong field atomic processes, i.e., atomic and molecular ionization and high-order harmonic generation, respectively.

关键词： Bohmian trajectory strong-field ionization high-order harmonic generation