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Effect of Y element on atomic structure, glass forming ability,and magnetic properties of FeBC alloy

Chinese Physics B 2024年第7期33卷 440-446页

作者：肖晋桦丁大伟李琳孙奕韬李茂枝汪卫华 State Key Laboratory of Alternate Electrical Power System with Renewable Energy Sources North China Electric Power UniversityBeijing 102206China Institute of Physics Chinese Academy of SciencesBeijing 100190China Department of Physics and Beijing Key Laboratory of Opto-electronic Functional Materials&Micro-nano Devices Renmin University of ChinaBeijing 100872China

The atomic structure of amorphous alloys plays a crucial role in determining both their glass-forming ability and magnetic properties. In this study, we investigate the influence of adding the Y element on the glass-forming ability and magnetic properties of Fe_(86-x)Y_xB_7C_7(x = 0, 5, 10 at.%) amorphous alloys via both experiments and ab initio molecular dynamics simulations. Furthermore, we explore the correlation between local atomic structures and properties. Our results demonstrate that an increased Y content in the alloys leads to a higher proportion of icosahedral clusters, which can potentially enhance both glass-forming ability and thermal stability. These findings have been experimentally validated. The analysis of the electron energy density and magnetic moment of the alloy reveals that the addition of Y leads to hybridization between Y-4d and Fe-3d orbitals, resulting in a reduction in ferromagnetic coupling between Fe atoms. This subsequently reduces the magnetic moment of Fe atoms as well as the total magnetic moment of the system, which is consistent with experimental results. The results could help understand the relationship between atomic structure and magnetic property,and providing valuable insights for enhancing the performance of metallic glasses in industrial applications.

关键词： Fe-based amorphous alloy ab initio molecular dynamic simulation glass-forming ability magnetic properties

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3D-printed mechanically strong and extreme environment adaptable boron nitride/cellulose nanofluidic macrofibers

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Nano Research 2023年第5期16卷 7609-7617页

作者： Le Yu Tingting Gao Ruiyu Mi Jing Huang Weiqing Kong Dapeng Liu Zhiqiang Liang Dongdong Ye Chaoji Chen School of Resource and Environmental Sciences Hubei Biomass-Resource Chemistry and Environmental Biotechnology Key LaboratoryWuhan UniversityWuhan 430079China Key Laboratory of Textile Science and Technology Ministry of EducationCollege of TextilesDonghua UniversityShanghai 201620China Beijing Key Laboratory of Materials Utilization of Nonmetallic Minerals and Solid Wastes National Laboratory of Mineral MaterialsSchool of Materials Science and TechnologyChina University of GeosciencesBeijing 100083China State Key Laboratory for Modification of Chemical Fibers and Polymer Materials College of Materials Science and EngineeringDonghua UniversityShanghai 201620China Interdisciplinary Materials Research Center School of Materials Science and EngineeringTongji UniversityShanghai 201804China Institute of Functional Nano and Soft Materials(FUNSOM) Jiangsu Key Laboratory for Carbon-Based Functional Materials and DevicesSoochow UniversitySuzhou 215123China School of Textile Materials and Engineering Wuyi UniversityJiangmen 529020China

Fibrous nanofluidic materials are ideal building blocks for implantable electrode,biomimetic actuator,wearable electronics due to their favorable features of intrinsic flexibility and unidirectional ion ***,the large-scale preparation of fibrous nanofluidic materials with desirable mechanical strength and good environment adaptability for practical use remains ***,by fully taking advantage of the attractive mechanical,structural,chemical features of boron nitride(BN)nanosheet and nanofibrillated cellulose(NFC),a scalable and cost-effective three-dimensional(3D)printed macrofiber featuring abundant vertically aligned nanofluidic channels is demonstrated to exhibit a good combination of high tensile strength of 100 MPa,thermal stability of up to 230℃,ionic conductivity of 1.8×10^(−4)S/cm at low salt concentrations(<10^(−3)M).In addition,the versatile surface chemistry of cellulose allows us to stabilize the macrofiber at the molecular level via a facile postcross-linking method,which eventually enables the stable operation of the modified macrofiber in various extreme environments such as strong acidic,strong alkaline,high *** believe this work implies a promising guideline for designing and manufacturing fibrous nanodevices towards extreme environment operations.

关键词： three-dimensional(3D)printing nanofluidic boron nitride cellulose macrofiber

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High-spatial-frequency nanoripples induced on a WS2 film by femtosecond laser pulses for second harmonic generation and Raman scattering manipulation

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Optics Express 2025年第7期33卷 15888-15900页

作者： Luo, Jinshan Li, Shulei Liu, Shimei Mao, Yuheng Wang, Zhuo Lan, Sheng Guangdong Provincial Key Laboratory of Nanophotonic Functional Materials and Devices School of Optoelectronic Science and Engineering South China Normal University Guangzhou510006 China School of Optoelectronic Engineering Guangdong Polytechnic Normal University Guangzhou510665 China

Transition metal dichalcogenides (TMDCs) have attracted great interest due to their unique layer-related electronic and optical properties, which exhibit potential applications in optoelectronic devices. However, the fabrication of nanostructures on the surface of a TMDC film, which is necessary for their device applications, remains a big challenge. Direct laser writing has been widely employed to fabricate periodic structures on the surface of metallic and dielectric materials. Here, we demonstrate that high-spatial-frequency nanoripples with a period of only one-tenth of the laser wavelength could be produced on the surface of a WS2 film by using femtosecond laser ablation. The period of nanoripples is controlled by adjusting the WS2 film thickness and laser fluence, and their orientation is perpendicular to the writing laser polarization. It is revealed that the fabricated nanoripples exhibit polarization control for reflected light, second harmonic wave, and Raman signal. Interestingly, the second harmonic generation is enhanced (suppressed) when the polarization of the excitation light is parallel (perpendicular) to the orientation of nanoripples. In addition, the Raman signals are greatly enhanced in the presence of nanoripples. Based on numerical simulation, it is unveiled that the modification in the electric field distribution in the WS2 film induced by nanoripples plays a crucial role in the second harmonic generation. At the same time, Raman signals are enhanced by the compressive strain formed in nanoripples. Our findings indicate the potential applications of the high-spatial-frequency nanoripples in controlling the optical properties of the TMDCs and pave the way for realizing polarization-sensitive optical storage and display based on TMDCs. © 2025 Optica Publishing Group under the terms of the Optica Open Access Publishing Agreement.

关键词： Laser ablation

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Magnetic and electrical transport properties in GdAlSi and SmAlGe

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Chinese Physics B 2024年第7期33卷 554-560页

作者：巩静王欢马小平曾祥雨林浚发韩坤王乙婷夏天龙 Department of Physics Renmin University of ChinaBeijing 100872China Beijing Key Laboratory of Opto-electronic Functional Materials&Micro-nano Devices Renmin University of ChinaBeijing 100872China Key Laboratory of Quantum State Construction and Manipulation(Ministry of Education) Renmin University of ChinaBeijing 100872China Laboratory for Neutron Scattering Renmin University of ChinaBeijing 100872China

We conduct a detailed examination of the magnetic and electrical transport properties in GdAlSi and SmAlGe crystals,which possess a LaPtSi-type structure(space group I4_(1)md).The magnetic susceptibility data unambiguously reveal magnetic ordering below a characteristic transition temperature(T_(N)).For GdAlSi,a hysteresis loop is observed in the magnetization and magnetoresistance curves within the ab plane when the magnetic field is applied below T_(N),which is around32 *** specific heat anomalies are detected at 32 K for GdAlSi and 6 K for SmAlGe,confirming the occurrence of magnetic *** addition,the extracted magnetic entropy at high temperatures is consistent with the theoretical value of Rln(2J+1) for J=7/2 in Gd^(3+) and J=5/2 in Sm^(3+),*** also exhibits Schottky-like specific heat ***,both GdAlSi and SmAlGe exhibit positive magnetoresistance and a normal Hall effect.

关键词： crystal growth magnetism magnetotransport properties specific heat

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All-three-in-one:Pb2（H2PO4）2（C2O4） significantly enhanced birefringence in phosphate materials

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Science China Chemistry 2025年

作者： Qingpeng Shao Qingran Ding Yanqiu Zhang Weiqi Huang Zihao Yu Yipeng Song Chengmin Ji Ziyi Wang Sangen Zhao Junhua Luo College of Chemistry and Materials Key Laboratory of Fluorine and Silicon for Energy Materials and Chemistry of Ministry of EducationJiangxi Normal University State Key Laboratory of Functional Crystals and Devices Fujian Institute of Research on the Structure of Matter Chinese Academy of Sciences

Optical phosphate crystals, including commercially available KH2PO4, are primarily limited by relatively low birefringence. To address this, strategies involving non-π-conjugated heteroanionic units, π-conjugated planar units, and lone-pair polyhedral units have been proposed to enhance birefringence. In this work, we propose an all-three-in-one design strategy that assembles three types of birefringent units, namely non-π-conjugated [H2PO4] heteroanionic units, π-conjugated [C2O4] planar units, and lonepair [PbO8] polyhedral units, into the Pb2（H2PO4）2（C2O4） structure, achieving a moderate birefringence of nearly0.129@550 nm. Additionally, Sr2（H2PO4）2（C2O4） with a birefringence of 0.107@550 nm was also successfully synthesized for further investigating the distinctive contribution of lone-pair [PbO8] polyhedral units in enhancing birefringence. Notably, the birefringence values of both compounds are 3 and 3.6 times that of KH2PO4, substantially exceeding most reported phosphate birefringent crystals. First-principles calculations and structural analysis revealed that the significant birefringence is attributed to the contribution of birefringent units within the compounds. The integration of diverse functional structural units opens new possibilities for exploring materials.

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Identification of photochemical effects in Ni-based photothermal catalysts

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Chinese Journal of Structural Chemistry 2023年第6期42卷 27-35页

作者： Yuyao Xi Mujin Cai Zhiyi Wu Zhijie Zhu Jiahui Shen Chengcheng Zhang Rui Tang Xingda An Chaoran Li Le He Institute of Functional Nano&Soft Materials(FUNSOM) Soochow UniversitySuzhou215123PR China Jiangsu Key Laboratory of Advanced Negative Carbon Technologies Soochow UniversitySuzhou215123JiangsuPR China Jiangsu Key Laboratory for Carbon-Based Functional Materials&Devices Soochow UniversitySuzhou215123JiangsuPR China

Photochemical catalytic processes can reduce the activation energy so that reactions can occur under milder ***,it is still unknown whether photochemical effects are present in photothermal catalysis over conventional transition metal ***,the representative photothermal CO_(2)hydrogenation catalyst,Ni@p-SiO_(2),is employed as a model system to quantitatively probe the contribution of photochemical *** a series of catalytic and photophysical characterizations,it is found that negligible photochemical effect in the ultraviolet-visible region can be observed for the traditional Ni-based *** results of photo-electrochemistry(PEC)test further confirm that no apparent photochemical effect is present for the Ni@p-SiO_(2)catalyst in the aqueous-phase *** has been further evidenced that the photochemical contributions can be significantly amplified by introducing plasmonic metals,such as Au,into the *** work provides a guideline for the design and construction of efficient synergetic photothermal-photochemical catalytic systems.

关键词： Photothermal catalysis Photochemical catalysis Carbon dioxide hydrogenation reaction Nickel-based catalysts Localized surface plasmon resonance

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Extremely strong coupling s-wave superconductivity in the medium-entropy alloy TiHfNbTa

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Science China(Physics,Mechanics & Astronomy) 2023年第7期66卷 127-135页

作者： Lingyong Zeng Xunwu Hu Mebrouka Boubeche Kuan Li Longfu Li Peifeng Yu Kangwang Wang Chao Zhang Kui Jin Dao-Xin Yao Huixia Luo School of Materials Science and Engineering State Key Laboratory of Optoelectronic Materials and TechnologiesKey Lab of Polymer Composite&Functional MaterialsGuangdong Provincial Key Laboratory of Magnetoelectric Physics and DevicesSun Yat-Sen UniversityGuangzhou 510275China Guangdong Provincial Key Laboratory of Magnetoelectric Physics and Devices Center for Neutron Science and TechnologySchool of PhysicsSun Yat-Sen UniversityGuangzhou 510275China Songshan Lake Materials Laboratory University Innovation TownDongguan 523808China Beijing National Laboratory for Condensed Matter Physics Institute of PhysicsChinese Academy of SciencesBeijing 100190China Key Laboratory of Vacuum Physics School of Physical SciencesUniversity of Chinese Academy of SciencesBeijing 100049China

Here we report a TiHfNbTa bulk medium-entropy alloy(MEA)superconductor crystallized in the body-centered cubic structure with the unit cell parameter a=3.35925?,which is synthesized by an arc melting *** properties of the TiHfNbTa are studied by employing magnetic susceptibility,resistivity,and specific heat *** results show a bulk superconducting transition temperature(Tc)of around 6.75 *** lower and upper critical fields for TiHfNbTa are45.8 m T and 10.46 T,***-principles calculations show that the d electrons of Ti,Hf,Nb,and Ta are the main contribution to the total density of states near the Fermi *** results indicate that the superconductivity is a conventional swave type with extremely strong coupling(△C_(el)/γ_(n)T_(c)=2.88,2△_(0)/k_(B)T_(c)=5.02,and λ_(ep)=2.77).The extremely strong coupling behavior in the s-wave type Ti Hf Nb Ta MEA superconductor is unusual because it generally happens in cuprates,pnictides,and other unconventional superconductors.

关键词： medium-entropy alloy superconductivity s-wave type TiHfNbTa

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Epitaxial growth of Cu_(2-x)Se on Cu(220)crystal plane as high property anode for sodium storage

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Chinese Chemical Letters 2024年第7期35卷 519-523页

作者： Zhijia Zhang Shihao Sun Yuefang Chen Yanhao Wei Mengmeng Zhang Chunsheng Li Yan Sun Shaofei Zhang Yong Jiang School of Materials Science and Engineering Institute of Quantum Materials and DevicesState Key Laboratory of Separation Membrane and Membrane ProcessesTiangong UniversityTianjin 300387China School of Chemistry and Life Sciences Suzhou University of Science and TechnologySuzhou 215009China Key Laboratory of Advanced Electrode Materials for Novel Solar Cells for Petroleum and Chemical Industry of China Suzhou University of Science and TechnologySuzhou 215009China Hebei Key Laboratory of Flexible Functional Materials/Hebei Key Laboratory of Material Near-Net Forming Technology School of Materials Science and EngineeringHebei University of Science and TechnologyShijiazhuang 050018China

Three-dimentional(3D)transition metal selenides with sufficient channels could produce significant superiority on enhancing reaction kinetics for sodium-ion ***,the thorough exploration of 3D architecture with a facile strategy is still *** we report that a polycrystalline Cu_(2-x)Se film was epitaxial grown on(220)facets-exposed Cu by direct selenization of a nanoporous Cu skeleton,which is obtained by dealloying rolled Cu Mn@Cu alloy *** functional theory calculation result shows strong adsorption energy for Se atoms on Cu(220)planes during selenization reaction,rendering a low energy *** virtue of this core-shell 3D nanoporous architecture to offer abundant active sites and endow fast electron/ion transportation,the nanoporous Cu_(2-x)Se@Cu-0.15 composite electrode exhibits remarkable sodium-ion storage properties with high reversible capacity of 950.6μAh/cm^(2)at 50μA/cm^(2),suprior rate capability of 457.6μAh/cm^(2)at 500μA/cm^(2),as well as an ultra-long stability at a high current *** investigation reveals that the electrochemical reaction is a typical conversion-type reaction with different *** novel electrode synthetic strategy provides useful instructions to design the high-performance anode material for sodium-ion batteries.

关键词： Cu_(2)se 3D architecture Anode materials Density functional theory calculation Sodium-ion battery

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Approaching the uniaxiality of magnetic anisotropy in singlemolecule magnets

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Science China Chemistry 2023年第3期66卷 683-702页

作者： Chen Wang Yin-Shan Meng Shang-Da Jiang Bing-Wu Wang Song Gao School of Chemistry Chemical Engineering and Life ScienceWuhan University of TechnologyWuhan 430070China Beijing National Laboratory of Molecular Science Beijing Key Laboratory for Magnetoeletric Materials and DevicesCollege of Chemistry and Molecular EngineeringPeking UniversityBeijing 100871China State Key Laboratory of Fine Chemicals Dalian University of TechnologyDalian 116024China Spin-X Institute School of Chemistry and Chemical EngineeringState Key Laboratory of Luminescent Materials and DevicesGuangdong-Hong Kong-Macao Joint Laboratory of Optoelectronic and Magnetic Functional MaterialsSouth China University of TechnologyGuangzhou 510641China

Single-molecule magnets(SMMs),which can exhibit slow magnetization relaxation and bulk-magnet-like hysteresis of purely molecular origin,are promising candidates for high-density information storage,molecular spintronics,and quantum *** realize their applications,it is crucial to improve the blocking temperature(TB)and the effective relaxation barrier(Ueff).Three decades of multidisciplinary research have yielded distinct SMMs with a state-of-the-art Ueff of up to 2,000 K and a TB of up to the liquid nitrogen *** strategies have been investigated and summarized,which revealed that enhancing the uniaxiality of magnetic anisotropy is critical for constructing high-performance ***,magnetic anisotropy,a key property that connects the molecular structure symmetry and performance of SMMs,plays a fundamental role in dictating magneto-structural *** and employing magnetic anisotropy would be significantly beneficial for rationally designing high-performance *** review focuses on the magnetic anisotropy of *** illustrate the origin and manifestation of magnetic anisotropy in mononuclear 3d-and 4f-block metal *** then introduce developed approaches to investigate magnetic anisotropy both theoretically and *** SMMs by optimizing uniaxial magnetic anisotropy through lanthanide metallocene,symmetry controlling,and low-coordination approaches are ***,the remaining challenges and opportunities in this field will be discussed.

关键词： single-molecule magnets magnetic anisotropy uniaxiality lanthanide

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Diffuse reflection metasurface optimization design based on Genetic algorithm

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Procedia Computer Science 2024年 243卷 1273-1279页

作者： Yuan Zhang Hui Zhang Shan Wu Ziyi Wan Key Laboratory of Functional Materials and Devices for Informatics of Anhui Higher Education Institutes Fuyang Normal University Fuyang Anhui China

Conventional metasurfaces rely heavily on manual design and optimization, which is tedious and inefficient and cannot be adapted to the engineering applications of modern wireless communication networks. The use of intelligent algorithms to design smart metasurfaces with high accuracy and efficiency is becoming a growing trend. In this paper, a uniform scattering smart metasurface based on a 2-bit cell structure is implemented by optimizing the coding sequence of the metasurface using genetic algorithm. By increasing the number of scattering beams, the incident wave is reflected to as many directions as possible with uniform energy. It has an important application prospect in the fields of future 6G mobile communication and radar stealth technology.

关键词： Smart metasurface Genetic algorithm Encoding sequence Diffuse reflection

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