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The doping effects of monolayer Ca2N on electronic states: A first-principles calculation

Chinese Science Bulletin 2025年第4-5期70卷 612-620页

作者： Miao, Yaping Guo, Mengsheng xiao, Shuli Wu, Fan Fan, Wei School of Textile Science and Engineering Xi’an Polytechnic University Xi’an710048 China Key Laboratory of Functional Textile Materials and Products Ministry of Education Xi’an Polytechnic University Xi’an710048 China

Given the importance of two-dimensional (2D) materials in the development of microelectronic devices, condensed matter physics and chemistry concepts, the existence of electrodes with two-dimensional electronic structures has become a hot research direction. Two-dimensional calcium nitride (Ca2N) with a layered structure is a new type of 2D electrode materials, the conduction electrons are confined between Ca layers, and the 2D confined electrons behave as anions, showing the unique topological characteristics of electrode materials, which has potential applications in high-performance electronic devices and chemical synthesis. The space group of Ca2N belongs to R3m, and the layers are stacked along the direction of the c axis. The interaction between the layers is through the van der Waals force, and the weak molecular force between the layers makes the single layer Ca2N easy to be stripped from the body phase like graphene. But the influence of its electrical properties and its changing rules are not sufficiently studied. Doping can effectively regulate the electronic band structure and improve the integration of thin-layer two-dimensional materials, so as to accurately control and optimize various properties of materials. What’s more, doping not only regulates the band structure of the system, but also affects the magnetic properties of the system. It provides a novel approach for designing and constructing high-performance microelectronic devices. Therefore, the electrical properties of pure Ca2N and the regulation of doping on its electrical properties are studied by first principles calculation based on density functional theory. Calculations were conducted using the Vienna Ab-initio Simulation Package (VASP). The energy cutoff for the plane wave basis set was set to 500 eV, and the interactions between ionic cores and valence electrons were described using the projector augmented wave (PAW) method. For the exchange-correlation functional, the generalized grad

关键词： Van der Waals forces

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2D Plain and 3D Needle-punched C/SiC Composites:Low-velocity Impact Damage Behavior and Failure Mechanism

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无机材料学报 2025年第2期40卷 205-214,I0004页

作者： LUAN xingang HE Dianwei TU Jianyong CHENG Laifei Science and Technology on Thermostructural Composite Materials Laboratory Northwestern Polytechnical UniversityXi’an 710072China xi’an Golden Mountain Ceramic Composites Co. Ltd.Xi’an 710118China

Continuous carbon fiber reinforced silicon carbide(C/SiC)composites are often subjected to low-velocity impacts when utilized as structural materials for thermal ***,research on in-plane impact damage and multiple impact damage of C/SiC composites is *** investigate the in-plane impact damage behavior of C/SiC composites,a drop-weight impact test method was developed for strip samples,and these results were subsequently compared with those of C/SiC composite *** show that the in-plane impact behavior of C/SiC strip samples is similar to that of C/SiC composite *** of the impact load with displacement is characterized by three stages:a nearly linear stage,a severe load drop stage,and a rebound stage where displacement occurs after the impact energy exceeds its peak *** damage behavior under single and multiple impacts on 2D plain and 3D needled C/SiC composites was investigated at different impact energies and *** propagation in C/SiC composites was studied by computerized tomography(CT)*** the 2D plain C/SiC composite,load propagation between layers is hindered during impact,leading to delamination and 90°fiber brittle *** crack length perpendicular to the impact direction increases with impact energy increases,resulting in more serious 0°fiber fracture and a larger area of fiber *** the 3D needled C/SiC composite,load propagates between the layers during impact through the connection of needled *** fibers continue to provide substantial structural support,with notable instances of fiber pull-off and ***,the impact resistance is superior to that of 2D plain C/SiC *** the 3D needled C/SiC composite undergoes two successive impacts of 1.5 J,the energy absorption efficiency of the second impact is significantly lower,accompanied by a smaller impact ***,the total energy absorption efficiency of these two impacts of 1.5 J is lowe

关键词： ceramic-matrix composite fracture low-velocity impact computerized tomography analysis

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Numerical Simulation of Radiation Transport to Improve Microalgae Cultivation in an Air-Lift Photobioreactor

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Journal of Thermal Science 2025年第1期34卷 62-76页

作者： ZHANG xianbin LI Mingjia HUNG Tzuchen ZHANG Zixun Key Laboratory of Thermo-Fluid Science and Engineering of Ministry of Education School of Energy and Power EngineeringXi'an Jiaotong UniversityXi'an 710049China School of Mechanical Engineering Beijing Institute of TechnologyBeijing 100081China Department of Mechanical Engineering Taipei University of TechnologyTaipei 106344China

A comprehensive numerical model is developed to simulate the growth of microalgae under light/dark cycling *** purpose of this study is to predict the growth rate of Chlorella vulgaris cultivated in photobioreactors(PBRs)in order to improve the light conditions for microalgae and enhance the photosynthetic *** fluid dynamics(CFD)is used to simulate its internal hydrodynamic *** Lagrangian method is employed to track the movement of microalgae *** radiative transfer equation(RTE)is used to obtain light intensity *** combination of light radiation field and microalgae cell motions is used to construct the light history and they are integrated into the model of the photosynthetic units(PSU)to calculate the microalgae growth *** numerical results demonstrate that enhanced light/dark cycling frequency with ordered mixing can promote efficient microalgae *** effect of the vortex flow field generated by the baffles in an air-lift PBR is analyzed for increasing microalgae growth *** using the 1:1 baffle spacing,the biomass production of microalgae is increased by 41.8% compared to the original PBR.

关键词： photobioreactor light distribution particle tracking structure optimization

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Petrogenesis of late Cretaceous high Ba-Sr granodiorites,SE Lhasa block,China:implications for the reworking of juvenile crust and continental growth

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Acta Geochimica 2025年第1期44卷 86-111页

作者： Li-Hang Lin Ren-Zhi Zhu Shao-Cong Lai Jiang-Feng Qin Yu Zhu Shao-Wei Zhao Min Liu State Key Laboratory of Continental Dynamics Department of GeologyNorthwest UniversityXi’an 710069China Ministry of Education Key Laboratory of Western China’s Mineral Resources and Geological Engineering School of Earth Science and ResourcesChang’an UniversityXi’an 710054China

The high Ba-Sr rocks can provide significant clues about the evolution of the continent lithosphere,but their petrogenesis remains *** the Late Cretaceous high Ba–Sr granodiorites in the SE Lhasa Block could potentially provide valuable insights into the continent evolution of the Qinghai-Tibet *** U–Pb ages suggest that the granodiorites were emplaced at 87.32±0.43 ***,the high Ba–Sr granodiorites are characterized by elevated K_(2)O+Na_(2)O contents(8.18-8.73 wt%)and K_(2)O/Na_(2)O ratios(0.99-1.25,mostly>1),and belong to high-K calc-alkaline to shoshonitic *** Yonglaga granodiorites show notably high Sr(653-783 ppm)and Ba(1346-1531 ppm)contents,plus high Sr/Y(30.92-38.18)and(La/Yb)_(N)(27.7-34.7)ratios,but low Y(20.0-22.8 ppm)and Yb(1.92-2.19 ppm)contents with absence of negative Eu anomalies(δEu=0.83-0.88),all similar to typical high Ba–Sr *** variable zirconεHf(t)values of-4.58 to+12.97,elevated initial^(87)Sr/^(86)Sr isotopic ratios of 0.707254 to 0.707322 and lowεNd(t)values of-2.8 to-3.6 with decoupling from the Hf system suggest that a metasomatized mantle source included significant recycled ancient *** occurrence of such high Ba–Sr intrusions indicates previous contributions of metasomatized mantle-derived juvenile material to the continents,which imply the growth of continental crust during the Late Cretaceous in the SE *** with regional data,we infer that the underplated mafic magma provides a significant amount of heat,which leads to partial melting of the juvenile *** melting of the metasomatized mantle could produce a juvenile mafic lower crust,from which the high Ba–Sr granitoids were derived from reworking of previous mafic crust during the Late Cretaceous(ca.100-80 Ma)in the SE Lhasa.

关键词： Late Cretaceous High Ba-Sr granodiorites SE Lhasa Growth of continental crust Juvenile crust

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Tailoring Cathode-Electrolyte Interface for High-Power and Stable Lithium-Sulfur Batteries

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Nano-Micro Letters 2025年第4期17卷 181-211页

作者： Mengting Liu Ling-Jiao Hu Zhao-Kun Guan Tian-Ling Chen xin-Yu Zhang Shuai Sun Ruoli Shi Panpan Jing Peng-Fei Wang Center of Nanomaterials for Renewable Energy State Key Laboratory of Electrical Insulation and Power EquipmentSchool of Electrical EngineeringXi’an Jiaotong UniversityXi’an 710049People’s Republic of China Low-Dimensional Materials and Photo/Electrochemical Technology Lab School of Materials Science and EngineeringShaanxi Key Laboratory of Green Preparation and Functionalization for Inorganic MaterialsShaanxi University of Science&TechnologyXi’an 710021People’s Republic of China

Global interest in lithium-sulfur batteries as one of the most promising energy storage technologies has been sparked by their low sulfur cathode cost,high gravimetric,volumetric energy densities,abundant resources,and environmental ***,their practical application is significantly impeded by several serious issues that arise at the cathode-electrolyte interface,such as interface structure degradation including the uneven deposition of Li_(2)S,unstable cathode-electrolyte interphase(CEI)layer and intermediate polysulfide shuttle ***,an optimized cathode-electrolyte interface along with optimized electrodes is required for overall ***,we comprehensively outline the challenges and corresponding strategies,including electrolyte optimization to create a dense CEI layer,regulating the Li_(2)S deposition pattern,and inhibiting the shuttle effect with regard to the solid-liquid-solid pathway,the transformation from solid-liquid-solid to solid-solid pathway,and solid-solid pathway at the cathode-electrolyte *** order to spur more perceptive research and hasten the widespread use of lithium-sulfur batteries,viewpoints on designing a stable interface with a deep comprehension are also put forth.

关键词： Lithium-sulfur batteries Shuttle effect Cathode-electrolyte interface Structural enhancement Reaction pathway

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Sub-6GHz Assisted mmWave Hybrid Beamforming with Self-Supervised Learning

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China Communications 2025年第1期22卷 158-170页

作者： Li Hongyao Gao Feifei Lin Bo Wu Huihui Gu Yuantao xi Jianxiang xi’an High Tech Institute Xi’an 710025China Tsinghua university Beijing 100084China

In this paper,we propose a sub-6GHz channel assisted hybrid beamforming(HBF)for mmWave system under both line-of-sight(LOS)and non-line-of-sight(NLOS)scenarios without mmWave channel ***,we resort to the selfsupervised approach to eliminate the need for labels,thus avoiding the accompanied high cost of data collection and *** first construct the dense connection network(DCnet)with three modules:the feature extraction module for extracting channel characteristic from a large amount of channel data,the feature fusion module for combining multidimensional features,and the prediction module for generating the HBF ***,we establish a lightweight network architecture,named as LDnet,to reduce the number of model parameters and computational *** proposed sub-6GHz assisted approach eliminates mmWave pilot resources compared to the method using mmWave channel information *** simulation results indicate that the proposed DCnet and LDnet can achieve the spectral efficiency that is superior to the traditional orthogonal matching pursuit(OMP)algorithm by 13.66% and 10.44% under LOS scenarios and by 32.35% and 27.75% under NLOS scenarios,***,the LDnet achieves 98.52% reduction in the number of model parameters and 22.93% reduction in computational complexity compared to DCnet.

关键词： hybrid beamforming mmWave selfsupervised learning sub-6GHz assisted mmWave transmission sub-6GHz channel

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Physicochemical characteristics of airborne microplastics of a typical coastal city in the Yangtze River Delta Region,China

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Journal of Environmental Sciences 2025年第2期148卷 602-613页

作者： Pengju Liu Longyi Shao Ziyu Guo Yaxing Zhang Yaxin Cao Xuying Ma Lidia Morawska State Key Laboratory of Coal Resources and Safe Mining&College of Geoscience and Surveying Engineering China University of Mining and Technology(Beijing)Beijing 100083China College of Geomatics Xi’an University of Science and TechnologyXi’an 710054China International Laboratory for Air Quality and Health(ILAQH) Queensland University of TechnologyBrisbaneQLD 4000Australia

Airborne microplastics(MPs)are important pollutants that have been present in the environment for many years and are characterized by their universality,persistence,and potential *** study investigated the effects of terrestrial and marine transport of MPs in the atmosphere of a coastal city and compared the difference between daytime and *** direct infrared imaging(LDIR)and polarized light microscopy were used to characterize the physical and chemical properties of MPs,including number concentration,chemical types,shape,and *** trajectories were used to distinguish the air masses from marine and terrestrial *** chemical types were detected by LDIR,with rubber(16.7%)and phenol-formaldehyde resin(PFR;14.8%)being major *** main morphological types of MPs were identified,and fragments(78.1%)are the dominant *** in the atmosphere were concentrated in the small particle size segment(20-50μm).The concentration of MPs in the air mass from marine transport was 14.7 items/m^(3)-lower than that from terrestrial transport(32.0 items/m^(3)).The number concentration of airborne MPs was negatively correlated with relative *** from terrestrial transport were mainly rubber(20.2%),while those from marine transport were mainly PFR(18%).MPs in the marine transport air mass were more aged and had a lower number concentration than those in the terrestrial transport air *** number concentration of airborne MPs is higher during the day than at *** findings could contribute to the development of targeted control measures and methods to reduce MP pollution.

关键词： Airborne microplastics(MPs) Laser direct infrared imaging(LDIR) Polarized light microscopy Terrestrial transport Marine transport Relative humidity

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Mask-coding-assisted continuous-variable quantum direct communication with orbital angular momentum multiplexing

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Chinese Physics B 2025年第2期34卷 64-72页

作者： Zhengwen Cao Yujie Wang Geng Chai xinlei Chen Yuan Lu Laboratory of Quantum Information&Technology School of Information Science and TechnologyNorthwest UniversityXi’an 710127China

Quantum secure direct communication(QSDC) is a communication method based on quantum mechanics and it is used to transmit secret messages. Unlike quantum key distribution, secret messages can be transmitted directly on a quantum channel with QSDC. Higher channel capacity and noise suppression capabilities are key to achieving longdistance quantum communication. Here, we report a continuous-variable QSDC scheme based on mask-coding and orbital angular momentum, in which the mask-coding is employed to protect the security of the transmitting messages and to suppress the influence of excess noise. The combination of orbital angular momentum and information block transmission effectively improves the secrecy capacity. In the 800 information blocks ×1310 bits length 10-km experiment, the results show a statistical average bit error rate of 0.38%, a system excess noise value of 0.0184 SNU, and a final secrecy capacity of 6.319×10~6 bps. Therefore, this scheme reduces error bits while increasing secrecy capacity, providing a solution for long-distance large-scale quantum communication, which is capable of transmitting text, images and other information of reasonable size.

关键词： continuous-variable quantum direct communication orbital angular momentum mask coding

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Fast and robust production of quantum superposition states by the fractional shortcut to adiabaticity

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Communications in Theoretical Physics 2025年第1期77卷 54-64页

作者： Guan-Qiang Li Hao Guo Yu-Qi Zhang Bo Yang Ping Peng Department of Physics and Institute of Theoretical Physics Shaanxi University of Science and TechnologyXi'an 710021China

The fractional shortcut to adiabaticity(f-STA)for the production of quantum superposition states is proposed firstly via a three-level system with aΛ-type linkage pattern and a four-level system with a tripod *** fast and robust production of the coherent superposition states is studied by comparing the populations for the f-STA and the fractional stimulated Raman adiabatic passage(f-STIRAP).The states with equal proportions can be produced by fixing the controllable parameters of the driving pulses at the final moment of the whole *** effects of the pulse intensity and the time delay of the pulses on the production process are discussed by monitoring the populations on all of the quantum *** particular,the spontaneous emission arising from the intermediate state is investigated by the quantum master *** result reveals that the f-STA exhibits superior advantages over the f-STIRAP in producing the superposition states.

关键词： quantum population transfer shortcut to adiabaticity coherent superposition states dark states spontaneous emission

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Hydrogen bond-induced conduction loss for enhanced electromagnetic attenuation in deep eutectic gel absorbers

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International Journal of Minerals,Metallurgy and Materials 2025年第3期32卷 738-746页

作者： Yuntong Wang Shengchong Hui Zhaoxiaohan Shi Zijing Li Geng Chen Tao Zhang xinyue xie Limin Zhang Hongjing Wu MOE Key Laboratory of Material Physics and Chemistry under Extraordinary School of Physical Science and TechnologyNorthwestern Polytechnical UniversityXi’an 710072China Queen Mary university of London Engineering School Northwestern Polytechnical UniversityXi’an 710072China Research&Development Institute of Northwestern Polytechnical university in Shenzhen Shenzhen 518063China

Gels and conductive polymer composites,including hydrogen bonds(HBs),have emerged as promising materials for electro-magnetic wave(EMW)absorption across various ***,the relationship between conduction loss in EMW-absorbing materials and charge transfer in HB remains to be fully *** this study,we developed a series of deep eutectic gels to fine-tune the quantity of HB by adjusting the molar ratio of choline chloride(ChCl)and ethylene glycol(EG).Owing to the unique properties of deep eutectic gels,the effects of magnetic loss and polarization loss on EMW attenuation can be *** results indicate that the quantity of HB initially increases and then decreases with the introduction of EG,with HB-induced conductive loss following similar *** a ChCl and EG molar ratio of 2.4,the gel labeled G22-CE2.4 exhibited the best EMW absorption performance,characterized by an effective absorption bandwidth of 8.50 GHz and a thickness of 2.54 *** superior performance is attributed to the synergistic ef-fects of excellent conductive loss and impedance matching generated by the optimal number of *** work elucidates the role of HB in dielectric loss for the first time and provides valuable insights into the optimal design of supramolecular polymer absorbers.

关键词： absorbers hydrogen bonds deep eutectic gels dielectric properties conduction loss

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