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Rare Metals 2024年第7期43卷 3107-3117页

作者： Xin-Yang Liu jing-Wei Liu Gang Li jing-Xiang Zhao College of Chemistry and Chemical Engineering Harbin Normal UniversityHarbin 150025China

Subnanometer metal clusters play an increasingly important role in heterogeneous catalysis due to their high catalytic activity and *** this work,by means of the density functional theory(DFT) calculations,the catalytic activities of transition metal clusters with precise numbers of atoms supported on graphdiyne(TM_(1-4)@GDY,TM=V,Cr,Mn,Fe,Co,Ni,Cu,Ru,Rh,Pd,Ir,Pt) were investigated for oxygen evolution reactions(OER),oxygen reduction reactions(ORR) and hydrogen evolution reactions(HER).The computed results reveal that the Pd_(2),Pd_(4) and Pt_(1) anchored graphdiyne can serve as trifunctional catalysts for OER/ORR/HER with the overpotentials of 0.49/0.37/0.06,0.45/0.33/0.12 and 0.37/0.43/0.01 V,respectively,while Pd_(1) and Pt_(2)@graphdiyne can exhibit excellent catalytic performance for water splitting(OER/HER) with the overpotentials of 0.55/0.17 and 0.43/0.03 *** addition,Ni_(1) and Pd_(3) anchored GDY can perform as bifunctional catalysts for metal-air cells(OER/ORR) and fuels cells(ORR/HER) with the overpotentials of 0.34/0.32 and 0.42/0.04 V,***,by precisely controlling the numbers of atoms in clusters,the TM_(1-4) anchored graphdiyne can serve as promising multifunctional electrocatalysts for OER/ORR/HER,which may provide an instructive strategy to design catalysts for the energy conversation and storage devices.

关键词： Density functional theory Graphdiyne Single-cluster catalysts Multifunctional electrocatalysts Overpotential

Challenges and prospects for room temperature solid-state sodiumsulfur batteries

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Nano Research 2024年第3期17卷 1402-1426页

作者： Yashuang Qiu jing Xu Research Center of Grid Energy Storage and Battery Application School of Electrical and Information EngineeringZhengzhou UniversityZhengzhou 450001China

Room temperature sodium-sulfur(Na-S)batteries,known for their high energy density and low cost,are one of the most promising next-generation energy storage ***,the polysulfide shuttling and uncontrollable Na dendrite growth as well as safety issues caused by the use of organic liquid electrolytes in Na-S cells,have severely hindered their ***-state electrolytes instead of liquid electrolytes are considered to be the most direct and effective solution to solve the above ***,its practical application is still greatly challenged due to the poor interfacial compatibility between the all-solid-state electrolytes and the anode/cathode,ionic conductivity,and the shuttle effect caused by the presence of liquid phase in the quasi-solid-state *** paper presents a comprehensive review of solid-state Na-S batteries from the perspective of regulating interfacial compatibility and improving ionic conductivity as well as suppressing polysulfide *** to different components,solid-state electrolytes were divided into five categories:solid inorganic electrolytes,solid polymer electrolytes,polymer/inorganic solid hybrid electrolytes,gel polymer electrolytes,and liquid–solid inorganic hybrid ***,the prospect of developing high performance solid-state electrolytes to improve the cycling stability of room temperature Na-S cells is envisaged.

关键词： sodium-sulfur batteries solid-state electrolytes ionic conductivity polysulfide shuttling interfacial compatibility

Boosting electrocatalytic nitrate reduction to ammonia via Cu_(2)O/Cu(OH)_(2)heterostructures promoting electron transfer

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Nano Research 2024年第6期17卷 4898-4907页

作者： jing Geng Sihan Ji Anhui Province International Research Center on Advanced Building Materials School of Materials Science and Chemical EngineeringAnhui Jianzhu UniversityHefei 230601China Anhui Province Key Laboratory of Advanced Building Materials Anhui Jianzhu UniversityHefei 230601China School of Energy Materials and Chemical Engineering Hefei UniversityHefei 230601China

Electrocatalytic nitrate(NO_(3)^(−))reduction to ammonia(NH_(3))offers a viable approach for sustainable NH_(3)production and environmental ***(Cu)possesses a distinctive electronic structure,which can augment the reaction kinetics of NO_(3)^(−)and impede hydrogen evolution reaction(HER),rendering it a promising contender for the electrosynthesis of NH_(3)from NO_(3)^(−).Nevertheless,the role of Cu_(2)O in copper-based catalysts still requires further investigation for a more comprehensive ***,the Cu_(2)O/Cu(OH)_(2)heterostructures are successfully fabricated through liquid laser irradiation using CuO nanoparticles as a *** and theoretical researches reveal that Cu_(2)O/Cu(OH)_(2)heterostructure exhibits enhanced electrocatalytic performance for NO_(3)^(−)to NH_(3)because Cu(OH)_(2)promotes electron transfer and reduces the valence state of Cu active site in Cu_(2)***−0.6 V(*** hydrogen electrode(RHE)),the NH_(3)yield reaches its maximum at 1630.66±29.72μg·h^(−1)·mgcat^(−1),while the maximum of Faraday efficiency(FE)is 76.95%±5.51%.This study expands the technical scope of copper-based catalyst preparation and enhances the understanding of the electrocatalytic mechanism of NO_(3)^(−)to NH_(3).

关键词： Cu_(2)O/Cu(OH)_(2)heterostructures electron transfer ammonia synthesis electrocatalysts nitrate

Kerr black hole shadows cast by extraordinary light rays with Weyl corrections

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Science China(Physics,Mechanics & Astronomy) 2024年第5期67卷 18-26页

作者： Songbai Chen Jiliang jing Department of Physics Institute of Interdisciplinary StudiesKey Laboratory of Low Dimensional Quantum Structures and Quantum Control of Ministry of EducationSynergetic Innovation Center for Quantum Effects and ApplicationsHunan Normal UniversityChangsha 410081China Center for Gravitation and Cosmology College of Physical Science and TechnologyYangzhou UniversityYangzhou 225009China

We investigate the equation of motion for photons with Weyl corrections in a Kerr black hole spacetime in a small coupling *** results show that Weyl corrections yield phenomena of *** light rays propagating in the spacetime are separated into the ordinary rays and the extraordinary rays,and the propagation of the latter depends on the *** probe the effects of Weyl corrections on the Kerr black hole shadows casted by the extraordinary rays and find that such corrections result in a weak stretching or squeezing in the vertical direction for the black hole ***,we also study the change of the length of the Near-Horizon Extremal Kerr line(NHEK line)with Weyl *** features could help us to understand the electrodynamics with Weyl corrections from black hole shadows.

关键词： correction light stretching

Surface reconstruction of heterostructures in alkaline medium towards enhanced electrocatalytic hydrogen evolution

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Rare Metals 2024年第6期43卷 2636-2647页

作者： Ming-Yang Yang Ji Yuan Xue-Lian Fu jing-jing Chen jing Hu Zhou-Guang Lu Chen Liu Guangdong Research Center for Interfacial Engineering of Functional Materials Shenzhen Key Laboratory of Polymer Science and TechnologyShenzhen Key Laboratory of Energy Electrocatalytic MaterialsCollege of Materials Science and EngineeringShenzhen UniversityShenzhen 518060China Shenzhen Key Laboratory of Interfacial Science and Engineering of Materials Department of Materials Science and EngineeringSouthern University of Science and TechnologyShenzhen 518055China

Constructing heterostructures has proved to be a successful strategy to fabricate electrocatalysts with high efficiency for water ***,the structure evolution in alkaline hydrogen evolution reaction lacks investigation and the specific active center remains ***,we take the well-designed Ni_(3)S_(2)@VO_(2) heterostructures as a model to investigate the electrocatalytic activity and the surface reconstruction process of heterostructure catalysts in alkaline *** Ni_(3)S_(2)@VO_(2) heterostructures,with Ni_(3)S_(2) nanorods as the core and VO_(2) nanoflakes as the shell,coupled with the high conductive Ni_(3)S_(2),the hydrophilic VO_(2) and modulated electronic structures at the interfaces,exhibited prominent activity and superior stability at various current ***,the ex-situ characterizations confirmed that the surface reconstruction from Ni_(3)S_(2)@VO_(2) into Ni_(3)S_(2)@amorphous-Ni(OH)_(2) in alkaline media could optimize the water dissociation barrier and exposed large active area,thereby contributing to improved electrocatalytic *** study not only introduces novel high-performance electrocatalysts for hydrogen evolution reaction(HER),but also provides a new avenue for re-examining hetero-structural catalysts in alkaline solutions.

关键词： Heterostructures Ni_(3)S_(2)@VO_(2) Surface reconstruction Water dissociation Alkaline hydrogen evolution

A stable staggered-grid finite-difference scheme for acoustic modeling beyond conventional stability limit

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Petroleum Science 2024年第1期21卷 182-194页

作者： jing-Yi Xu Yang Liu National Key Laboratory of Petroleum Resources and Engineering China University of Petroleum(Beijing)Beijing 102249China China University of Petroleum(Beijing) Karamay CampusKaramay 834000XinjiangChina

Staggered-grid finite-difference(SGFD)schemes have been widely used in acoustic wave modeling for geophysical *** improved methods are proposed to enhance the accuracy of numerical ***,these methods are inevitably limited by the maximum Courant-Friedrichs-Lewy(CFL)numbers,making them unstable when modeling with large time sampling intervals or small grid *** solve this problem,we extend a stable SGFD scheme by controlling SGFD dispersion relations and maximizing the maximum CFL ***,to improve modeling stability,we minimize the error between the FD dispersion relation and the exact relation in the given wave-number region,and make the FD dispersion approach a given function outside the given wave-number area,thus breaking the conventional limits of the maximum CFL ***,to obtain high modeling accuracy,we use the SGFD scheme based on the Remez algorithm to compute the FD *** addition,the hybrid absorbing boundary condition is adopted to suppress boundary reflections and we find a suitable weighting coefficient for the proposed *** derivation and numerical modeling demonstrate that the proposed scheme can maintain high accuracy in the modeling process and the value of the maximum CFL number of the proposed scheme can exceed that of the conventional SGFD scheme when adopting a small maximum effective wavenumber,indicating that the proposed scheme improves stability during the modeling.

关键词： Acoustic wave Staggered-grid finite-difference(SGFD) modeling Courant-friedrichs-lewy(CFL)number Stability

Biological sources, paleoenvironment, and organic matter enrichment in source rocks of the Ordovician Majiagou Formation, Ordos Basin, China:Evidence from biomarkers,microfossils, and inorganic geochemical analyses

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Journal of Palaeogeography 2024年第1期13卷 92-115页

作者： jing-jing Cao Wen-Zhe Gang Shang-Ru Yang State Key Laboratory of Petroleum Resources and Prospecting China University of Petroleum(Bejing)Beijing 102249China College of Geosciences China University of Petroleum(Bejing)Beijing 102249China Oil and Gas Technology Research Institute PetroChina Changqing Oifield CompanyXi'an 710018Shaanxi ProvinceChina

Carbonate deposits in the Ordovivian Majiagou Formation are significant source rocks for natural gas generation in the Ordos Basin, northwestern China. Previous studies mainly focused on the organic matter enrichment mechanism of shales rather than carbonate rocks. The biological sources and paleoenvironment of carbonate source rocks, and the main controlling factors of organic matter enrichment in the carbonate source rocks were studied in this paper in combination with evidence from biomarkers, microfossils and inorganic geochemistry analysis. The results show that four types of microfacies were identified in the Majiagou Formation, respectively as: mud flat microfacies, mud-dolomite flat microfacies, dolomite flat microfacies, and open marine microfacies. The biological sources of organic matter are chiefly planktonic algae, followed by bacteria. The mud flat and mud-dolomite flat contain a high abundance of terrigenous detrital inputs, as indicated by the high content of Al_(2)O_(3), TiO_(2), Th, and Zr. The low Sr/Cu and high Rb/Sr values reveal warm and humid paleoclimate conditions in the mud flat and mud-dolomite flat, whereas the dolomite flat and open marine were likely formed in hot and arid paleoclimate conditions. The mud flat and mud-dolomite flat deposits were characterized by high paleoproductivity of the Majiagou Formation. Low Sr/Ba values were found in the mud flat samples, indicating fresh to brackish water condition, whereas samples of other facies have a relatively high degree of salinity. Based on U_(auth), Mo_(auth), Cr_(auth), Co_(auth), δCe, and δEu values, the mud flat microfacies was formed in a suboxic and anoxic environment, whereas the mud-dolomite flat, dolomite flat and open marine microfacies were within dysoxic to oxic conditions. A model of organic matter enrichment in the Majiagou Formation is thus established. The level of terrigenous detrital inputs is the principal factor of organic matter enrichment in the Majiagou Formation,

关键词： Biological source Microfacies Trace elements Organic matter Majiagou Formation Ordos Basin

Development of CONTHAC-3D and hydrogen distribution analysis of HPR1000

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Nuclear Science and Techniques 2024年第2期35卷 210-221页

作者： Hui Wang jing-jing Li Yuan Chang Gong-Lin Li Ming Ding China Nuclear Power Engineering Co.LTD. Beijing 100084China Fundamental Science on Nuclear Safety and Simulation Technology Laboratory Harbin 100049China

An in-house code,CONTHAC-3D,was developed to calculate and analyze thermal-hydraulic phenomena in containments during severe ***-3D is a three-dimensional computational fluid dynamics code that can be applied to predict gas flow,diffusion,and steam condensation in a containment during a severe hypothetical accident,as well as to obtain an estimate of the local hydrogen concentration in various zones of the ***-3D was developed using multiple models to simulate the features of the proprietary systems and equipment of HPR1000 and ACP100,such as the passive cooling system,passive autocatalytic recombiners and the passive air cooling *** validate CONTHAC-3D,a GX6 test was performed at the Battelle Model Containment *** hydrogen concentration and temperature monitored by the GX6 test are accurately predicted by ***,the hydrogen distribution in the HPR1000 containment during a severe accident was *** results show that the hydrogen removal rates calculated using CONTHAC-3D for different types of PARs agree well with the theoretical values,with an error of less than 1%.As the accident progresses,the hydrogen concentration in the lower compartment becomes higher than that in the large space,which implies that the lower compartment has a higher hydrogen risk than the dome and large space at a later stage of the *** amount of hydrogen removed by the PARs placed on the floor of the compartment is small;therefore,raising the installation height of these recombiners appropriately is ***,we do not recommend installing all autocatalytic recombiners at high *** study findings in regard to the hydrogen distribution in the HPR1000 containment indicate that CONTHAC-3D can be applied to the study of hydrogen risk containment.

关键词： Hydrogen risk mitigation Pressurized water reactor HPR1000 Thermal hydraulic CONTHAC-3D

New pimarane diterpenoids with antibacterial activity from fungus Arthrinium ***03

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Chinese Journal of Natural Medicines 2024年第4期22卷 356-364页

作者： ZHAO Songfeng jing Ziwei Department of Pharmacy the First Affiliated Hospital of Zhengzhou UniversityZhengzhou 450052China

A comprehensive chemical study of the endophytic fungus Arthrinium sp. ZS03, associated with Acorus tatarinowii Schott, yielded eleven pimarane diterpenoids (compounds 1–11), including seven novel compounds designated arthrinoids A–G (1–7). The determination of their structures and absolute configurations was achieved through extensive spectroscopic techniques, quantum chemical calculations of electronic circular dichroism (ECD), and single-crystal X-ray diffraction analysis. Furthermore, 7 demonstrated inhibitory activity against Klebsiella pneumoniae, comparable to the reference antibiotic amikacin, with a minimum inhibitory concentration (MIC) of 8 μg·mL^(−1).

关键词： Arthrinium sp.ZS03 Pimarane diterpenoids Structural elucidation Antibacterial activity

Regulation of insect behavior by non-coding RNAs

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Science China(Life Sciences) 2024年第6期67卷 1106-1118页

作者： jing He Le Kang State Key Laboratory of Integrated Management of Pest Insects and Rodents Institute of ZoologyChinese Academy of SciencesBeijing 100101China Beijing Institutes of Life Sciences Chinese Academy of SciencesBeijing 100101China College of Life Science Hebei UniversityBaoding 071002China

The adaptation of insects to environments relies on a sophisticated set of behaviors controlled by molecular and physiological *** the past several decades,accumulating studies have unveiled the roles of non-coding RNAs(nc RNAs)in regulating insect *** RNAs assume particularly pivotal roles in the behavioral plasticity of insects by rapidly responding to environmental *** RNAs also contribute to the maintenance of homeostasis of insects by fine-tuning the expression of target ***,a comprehensive review of nc RNAs'roles in regulating insect behaviors has yet to be ***,we present the recent progress in our understanding of how nc RNAs regulate various insect behaviors,including flight and movement,social behavior,reproduction,learning and memory,and *** refine the intricate mechanisms by which nc RNAs modulate the function of neural,motor,reproductive,and other physiological systems,as well as gene expression in insects like fruit flies,social insects,locusts,and ***,we discuss potential avenues for future studies in nc RNA-mediated insect behaviors.

关键词： ncRNAs insect behavior plasticity fine-tuning environmental adaptation