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Inner-shell ionization cross sections of atoms by positron impact

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Communications in Theoretical Physics 2024年第6期76卷 142-147页

作者： yuan-Cheng Wang Jia Ma Li-Guang jiao Stephan Fritzsche College of Physical Science and Technology Shenyang Normal UniversityShenyang 110034China Helmholtz-Institut Jena D-07743 JenaGermany GSI Helmholtzzentrum für Schwerionenforschung GmbH D-64291 DarmstadtGermany College of Science Shenyang Aerospace UniversityShenyang 110136China College of Physics Jilin UniversityChangchun 130012China Theoretisch-Physikalisches Institut Friedrich-Schiller-Universität Jena07743 JenaGermany

The relativistic binary-encounter-Bethe model with Wannier-type threshold law is employed to obtain the inner-shell ionization cross sections of multi-electron atoms(Ni,Cu,Y,Ag,Au,Yb,Ta,and Pb)for positron impact energies from the thresholds up to 105ke *** is good agreement between the present calculations and the experimental *** constant in the acceleration term derived from the Wannier law is determined to be 0.2 and 0.5 for the K-and L-shells,respectively.

关键词： positron scattering ionization cross section binary-encounter-Bethe model

Synergistic enhancement of Ce-ZnO/g-C_(3)N_(4)photocatalytic performance using N,O-bis-vacancy induction and S-scheme heterojunctions

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Journal of Rare Earths 2024年第5期42卷 817-826,I0001页

作者： Guyu Zhang yuan Zhang Xinlei Zhao Yujiang jiao Yumin Yan Jianhui Jiang Engineering Laboratory of Chemical Resources Utilization in South Xinjiang of Xinjiang Production and Construction Corps College of Chemistry a Chemical EngineeringTarimUniversityAlar843300China

The photocatalytic decontamination of organic pollutants is an environmentally friendly and efficient water treatment *** introduction of vacancies,heterojunctions,and doping can enhance the performance of photocatalysts for such *** this study,N,O double-vacancy Ce-ZnO/g-C_(3)N_(4)S-scheme heterojunction photocatalysts were prepared,It is found that the electron separation and transfer efficiencies are considerably improved by the presence of nitrogen vacancies in graphitic ca rbon nitride(g-C_(3)N_(4))and oxygen vacancies in ZnO,in addition to the S-scheme heterojunction created between the two *** the degradation of methylene blue and ciprofloxacin,the degradation rates exhibited by Ce-ZnO/g-C_(3)N_(4)are significantly higher than those of the g=C_(3)N_(4)/ZnO *** remarkable photocatalytic performance of Ce-ZnO/g-C_(3)N_(4)may result from three key factors;(ⅰ)Ce doping,which produces impurity energy levels;(ⅱ)the generation of electron capture centres by the N and O vacancies;and(ⅲ)the synergistic effect of the S-type heterojunction formed at the interface between the two materials,This study therefore provides new approaches for the use of doping,vacancies,and heterojunctions to induce the efficient degradation of organic pollutants.

关键词： Photocatalysis Vacancy S-scheme Ce-ZnO/g-C_(3)N_(4) Degradation Rare earths

A hybrid nickel/iron-pyromellitic acid electrocatalyst for oxygen evolution reaction

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Nano Research 2024年第4期17卷 2481-2491页

作者： Guoqi Li Lin Li Wenlong Li Fusheng Li Chunze yuan nian Zhang Hui Zhang Tsu-Chien Weng School of Physical Science and Technology ShanghaiTech UniversityShanghai 201210China Center for Transformative Science ShanghaiTech UniversityShanghai 201210China State Key Lab of Fine Chemicals Institute of Artificial PhotosynthesisDUT-KTH Joint Education and Research Center on Molecular DevicesDalian University of Technology(DUT)Dalian 116024China State Key Laboratory of Functional Materials for Informatics Shanghai Institute of Microsystem and Information TechnologyChinese Academy of SciencesShanghai 200050China

The migration of protons during the oxygen evolution reaction(OER)is a key factor that affects the performance of OER *** enhance proton transportation,we designed a catalyst based on nickel/iron-pyromellitic acid(NiFe-PMA)prepared by the electrochemical deposition *** catalyst exhibited a low overpotential of 188 mV at a current density of 10 mA·cm^(-2),a Tafel slope of 28.2 mV·dec^(-1),and long-term stability for 30 days with a current of 50 mA·cm^(-2).We characterized the NiFe-PMA catalyst using various techniques,including Fourier transform infrared(FTIR)spectroscopy,Raman spectroscopy,X-ray photoelectron spectroscopy(XPS),X-ray absorption spectroscopy(XAS),transmission electron microscopy(TEM),scanning electron microscopy(SEM),and inductively coupled plasma-optical emission spectrometry(ICP-OES).Our results showed that NiFe-PMA contains nickel,iron atoms,and both coordinated and uncoordinated carboxylate ***,XPS data confirmed that carboxylate ligands could adjust the outer electronic structure of metal ions,resulting in the high valence state of Ni in *** result of XAS indicated that the nickel atoms present in the catalyst might be easier to maintain a higher chemical *** investigations using kinetic isotope effects(KIEs)and proton inventory revealed that the uncoordinated carboxylic protons played a crucial role in receiving protons during the OER,which promoted the proton transfer of the rate-determining step of the *** novel electrocatalysts provide a new strategy for designing more active and cost-effective catalysts for the OER.

关键词： nickel/iron-pyromellitic acid oxygen evolution reaction kinetic isotope effects

Insight study of rare earth elements in PM_(2.5)during five years in a Chinese inland city:Composition

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Journal of Environmental Sciences 2024年第4期138卷 439-449页

作者： Yi-Wen Shen Chang-Xian Zhao Hao Zhao Shuo-Fei Dong Qi Guo jiao-jiao Xie Mei-Ling Lv Chun-Gang yuan Hebei Key Lab of Power Plant Flue Gas Multi-Pollutants Control Department ofEnvironmental Science&EngineeringNorth China Electric Power UniversityBaoding 071000China MOE Key Laboratory of Resources and Environmental Systems Optimization College of Environmental Science and EngineeringNorth China Electric Power UniversityBeijing 102206China Agilent Technologies Co.Ltd.(China) Beijing 100102China

The booming development of rare earth industry and the extensive utilization of its products accompanied by urban development have led to the accelerated accumulation of rare earth elements(REEs)as emerging pollutants in atmospheric *** this study,the variation of REEs in PM_(2.5)with urban(a non-mining city)transformation was investigated through five consecutive years of sample *** compositional variability and provenance contribution of REEs in PM_(2.5)were characterized,and the REEs exposure risks of children and adults via inhalation,ingestion and dermal absorption were also *** results showed an increase in the total REEs concentration from 46.46±35.16 mg/kg(2017)to 81.22±38.98 mg/kg(2021)over the five-year period,with Ce and La making the largest *** actual increment of industrial and traffic emission source among the three pollution sources was 1.34 ng/m^(3).Coal combustion source displayed a downward *** was the main exposure pathway for REEs in PM_(2.5)for both children and *** contributed the most to the total intake of REEs in PM_(2.5)among the population,followed by La and *** exposure risks of REEs in PM_(2.5)in the region were relatively low,but the trend of change was of great *** was strongly recommended to strengthen the concern about traffic-related non-exhaust emissions of particulate matter.

关键词： Rare earth elements Exposure risks Pollution sources Traffic-related non-exhaust emissions

Engineering g-C_(3)N_(4)based materials for advanced photocatalysis:Recent advances

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Green Energy & Environment 2024年第2期9卷 166-197页

作者： Xin-Lian Song Lei Chen Li-jiao Gao Jin-Tao Ren Zhong-Yong yuan National Institute for Advanced Materials School of Materials Science and EngineeringSmart Sensing Interdisciplinary Science CenterNankai UniversityTianjin300350China Key Laboratory of Advanced Energy Materials Chemistry(Ministry of Education) Nankai UniversityTianjin300071China

Photocatalysis driven by abundant yet intermittent solar energy has considerable potential in renewable energy generation and environmental *** outstanding electronic structure and physicochemical properties of graphitic carbon nitride(g-C_(3)N_(4)),together with unique metal-free characteristic,make them ideal candidates for advanced photocatalysts *** review summarizes the up-to-date advances on g-C_(3)N_(4)based photocatalysts from ingenious-design strategies and diversified photocatalytic ***,the advantages,fabrication methods and limitations of each design strategy are systemically *** order to deeply comprehend the inner connection of theory–structure–performance upon g-C_(3)N_(4)based photocatalysts,structure/composition designs,corresponding photocatalytic activities and reaction mechanisms are jointly discussed,associated with introducing their photocatalytic applications toward water splitting,carbon dioxide/nitrogen reduction and pollutants degradation,***,the current challenges and future perspectives for g-C_(3)N_(4)based materials for photocatalysis are briefly *** design strategies and limitations are also instructive for constructing g-C_(3)N_(4) based materials in other energy and environment-related applications.

关键词： Graphitic carbon nitride g-C_(3)N_(4) Design strategies Photocatalysis Photocatalysts Reaction mechanism

Complexes of cupric ion and tartaric acid enhanced calcium peroxide Fenton-like reaction for metronidazole degradation

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Chinese Chemical Letters 2024年第7期35卷 183-187页

作者： Shiyu Pan Bo Cao Deling yuan Tifeng jiao Qingrui Zhang Shoufeng Tang State Key Laboratory of Metastable Materials Science and Technology Hebei Key Laboratory of Heavy Metal Deep-Remediation in Water and Resource ReuseSchool of Environmental and Chemical EngineeringYanshan UniversityQinhuangdao 066004China

To surmount the obstacles of traditional Fenton method and synchronously utilize Cu^(2+)and polyphenol in water,an improved Fenton-like reaction applying calcium peroxide(CaO_(2))as H_(2)O_(2)source and regulating by the complex of Cu^(2+)-tartaric acid(TA,a representative of polyphenol)was constructed.A typical antibiotic,metronidazole(MTZ)could be effectively eliminated by the Cu^(2+)/TA/CaO_(2)system,and the optimized parameters were as follows:0.1 mmol/L Cu^(2+),2 mmol/L TA,2 mmol/L CaO_(2),and initial *** spectrum confirmed the formation of Cu^(2+)-TA complex,which promoted the Cu^(2+)/Cu+circulation through decreasing the Cu^(2+)/Cu^(+) couple redox potential,which further enhanced the H_(2)O_(2)decomposition and the formation of reactive *** radical was dominant for MTZ degradation,followed by oxygen and superoxide *** degradation intermediates of MTZ were detected and their evolution way was ***,the ternary process showed a wide p H tolerance(3–8)for removing MTZ and broad applicability for eliminating other dyes and *** work provided a reference for Cu-based Fenton-like strategy for organic wastewater settlement.

关键词： Cupric ion Tartaric acid Complexation Calcium peroxide Metronidazole removal

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Further study on the genesis of lamellar calcite veins in lacustrine black shale--A case study of Paleogene in Dongying Depression, China

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Petroleum Science 2024年第3期21卷 1508-1523页

作者： Guan-Min Wang Yun-jiao Zhang Zi-yuan Yin Rui Zhu Zhi-Yao Hou Yu Bai School of Geosciences China University of Petroleum(East China)Qingdao266580ShandongChina

Lamellar calcite veins are prevalent in carbonate-rich,lacustrine dark *** formation mechanisms of these veins have been extensively debated,focusing on factors such as timing,depth,material source,and driving *** paper examines dark lacustrine shale lamellar calcite veins in the Paleogene strata of Dongying Depression,using various analytical techniques:petrography,isotope geochemistry,cathodoluminescence,inclusion thermometry,and electron probe *** distinct types of calcite veins have been identified:granular calcite veins and sparry calcite *** two types differ significantly in color,grain structure,morphology,and *** further investigation,it was observed that vein generation occurred from the shallow burial period to the maturation of organic matter,with a transition from granular calcite veins to sparry calcite *** granular calcite veins exhibit characteristics associated with the shallow burial period,including plastically deformed laminae and veins,the development of strawberry pyrite,the absence of oil and gas,weak fractionation in oxygen isotopes,and their contact relationship with sparry calcite *** granular calcite veins were likely influenced by the reduction of sulfate *** the other hand,sparry calcite veins with fibrous grains are antitaxial and closely linked to the evolution and maturation of organic *** contain oil and gas inclusions and show a distribution range of homogenization temperature between 90℃ and 120℃ and strong fractionation in oxygen isotopes,indicating formation during the hydrocarbon expulsion *** carbon isotope analysis of the surrounding rocks and veins suggests that the material for vein formation originates from the shale itself,specifically authigenic micritic calcite modified by the action of *** opening of horizontal fractures and vein formation is likely driven by fluid overpressure resulting from undercompaction and hydrocarb

关键词： Calcite veins Shale diagenesis Material source Formation period Formation mechanism

p-wave resonances in the exponential cosine screened Coulomb potential

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Communications in Theoretical Physics 2024年第7期76卷 105-113页

作者： yuan-Cheng Wang Li Guang jiao Aihua Liu Yew Kam Ho Stephan Fritzsche College of Physical Science and Technology Shenyang Normal UniversityShenyang 110034China College of Physics Jilin UniversityChangchun 130012China Helmholtz-Institut Jena D-07743 JenaGermany GSI Helmholtzzentrum fur Schwerionenforschung GmbH D-64291 DarmstadtGermany Institute of Atomic and Molecular Physics Jilin UniversityChangchun 130012China Institute of Atomic and Molecular Sciences Academia SinicaTaipei 10617TaiwanChina

We perform benchmark calculations of the p-wave resonances in the exponentially cosine screened Coulomb potential using the uniform complex-scaling generalized pseudo-spectral *** present results show significant improvement in calculation accuracy compared to previous predictions and correct the misidentification of resonance electron configuration in previous *** is found that the resonance states approximately follow an n^(2)-scaling law which is similar to the bound *** birth of a new resonance would distort the trajectory of an adjacent higher-lying resonance.

关键词： complex-scaling method shape resonance generalized pseudospectral method exponential cosine screened Coulomb potential

Effect of electrolyte cation-mediated mechanism on electrocatalytic carbon dioxide reduction

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Chinese Chemical Letters 2024年第7期35卷 139-146页

作者： yuan Dong Mutian Ma Zhenyang jiao Sheng Han Likun Xiong Zhao Deng Yang Peng Soochow Institute of Energy and Material Innovations College of EnergyJiangsu Key Laboratory of Advanced Carbon Materials and Wearable Energy TechnologiesSoochow UniversitySoochow 215006China Jiangsu Key Laboratory of Advanced Negative Carbon Technologies Soochow UniversitySoochow 215123China School of Chemistry and Chemical Engineering Shihezi UniversityShihezi 832003China School of Chemical and Environmental Engineering Shanghai Institute of TechnologyShanghai 201418China

The steep reduction in costs and systematic optimization of renewable electricity has ignited an intensifying interest in harnessing electroreduction of carbon dioxide(CO_(2)RR)for the generation of chemicals and *** focus of research over the past few decades has been on the optimization of the electrode and the electrolyte ***,cation species in the latter have recently been found to dramatically alter the selectivity of CO_(2)RR and even their catalytic activity by multiple orders of *** a result,the selection of cations is a critical factor in designing catalytic interfaces with high selectivity and efficiency for targeted *** decision-making regarding cation selection relies on a comprehensive understanding of prevailing electrolyte effect models that have been used to elucidate observed experimental *** this perspective,we review the hypotheses that explain how electrolyte cations influence CO_(2)RR by mechanisms such as through tuning of the interfacial electric field,buffering of the local pH,stabilization of the key intermediates and regulation of the interfacial *** endeavor is to elucidate the molecular mechanisms underpinning cation effects,thus fostering the evolution of more holistic and universally applicable predictive *** this regard,we highlight the current challenges in this area of research,while also identifying potential avenues for future investigations.

关键词： CO_(2)electrocatalytic reduction Cation effects Catalytic mechanisms Catalytic interfaces Electric double layer

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