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β-Pb_(3)P_(2)S_(8):A new optical crystal with exceptional birefringence effect

Chinese Chemical Letters 2025年第2期36卷 486-489页

作者： Weiping Guo Ying Zhu Hong-Hua Cui Lingyun Li Yan Yu Zhong-Zhen Luo Zhigang Zou Key Laboratory of Eco-materials Advanced Technology Key Laboratory of Advanced Materials Technologies International(HongKong Macao and Taiwan)Joint Laboratory on Advanced Materials TechnologiesCollege of Materials Science and EngineeringFuzhou UniversityFuzhou 350108China Fujian Science&Technology Innovation Laboratory for Optoelectronic Information of China Fuzhou 350108China Mechanical and Electrical Engineering Practice Center Fuzhou UniversityFuzhou 350108China Eco-materials and Renewable Energy Research Center College of Engineering and Applied SciencesNanjing UniversityNanjing 210093China

Birefringent crystals play an irreplaceable role in optical systems by adjusting the polarization state of light in optical *** work successfully synthesized a new thiophosphate phase ofβ-Pb_(3)P_(2)S_(8)through the high-temperature solid-state spontaneous crystallization *** from the cubicα-Pb_(3)P_(2)S_(8),theβ-Pb_(3)P_(2)S_(8)crystallizes in the orthorhombic Pbcn space ***,β-Pb_(3)P_(2)S_(8)shows a large band gap of 2.37 e V in lead-based chalcogenides,wide infrared transparent window(2.5-15μm),and excellent thermal ***,the experimental birefringence shows the largest value of0.26@550 nm in chalcogenides,even larger than the commercialized oxide *** Barder charge analysis result indicates that the exceptional birefringence effect is mainly from the Pb^(2+)and S^(2-)in the[Pb S_n]***,the parallelly arranged polyhedral layers could improve the structural ***,this work supports a new method for designing chalcogenides with exceptional birefringence effect in the infrared region.

关键词： Birefringent crystals Optical properties Chalcogenides β-Pb3P2S8 Structural anisotropic

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Towards Understanding Rust in the Era of AI for science at an Ecosystem Scale 6

Towards Understanding Rust in the Era of AI for Science at a...

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6th International Conference on Communications, Information System and Computer Engineering, CISCE 2024

作者： Xu, Bo Hefei National Research Center Institute of Advanced Technology University of Science and Technology of China Physical Sciences at the Microscale New Cornerstone Science Laboratory Department of Chemistry Hefei230026 China

ISBN: (纸本)9798350353174

Rust is an emerging programming language that provides both memory and thread safety like Java, and runtime efficiency like C/C++, by introducing a number of novel language features such as ownership, borrowing, explicit lifetime, and unsafe. These novel features make Rust a promising safe system language to build infrastructures in AI for science, where both security and performance are indispensable. However, there are no prior empirical studies of Rust language feature usage at the ecosystem scale, and such a study is important not only for guiding future language evolution but also for identifying research opportunities and challenges. In this paper, to fill the gap, we present the first comprehensive empirical study of Rust language feature usage at the ecosystem scale, by analyzing all registered 9,683 science-related crates in the Rust community's crate registry, with a novel tool RInsight we created. The empirical results give important insights, such as: 1) the dominated language features in all crates are functional ones (66.67%), which presents evidence that Rust is essentially a functional language pragmatically, but does NOT support the claim that 'Rust is a safe dialect of C';and 2) the unsafe feature is not used at an as high ratio as the prior study reported and is continuously dropping since 2018. We present the implications of these empirical findings and future research challenges to promote future research. © 2024 IEEE.

关键词： component empirical study Rust secure programming for science

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Different mechanisms of A-site and B-site high entropy effect on radiation tolerance of pyrochlores

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Journal of Materials science & technology 2024年第24期191卷 250-258页

作者： Yuxin Li Yiming Lei Hao Xiao Shuang Zhao Yugang Wang Zini Cao Jie Zhang Jingyang Wang Guowei Lu Liuxuan Cao Chenxu Wang State Key Laboratory of Nuclear Physics and Technology Center for Applied Physics and TechnologyPeking UniversityBeijing 100871China Shenyang National Laboratory for Materials Science Institute of Metal ResearchChinese Academy of SciencesShenyang 110016China State Key Laboratory for Mesoscopic Physics Frontiers Science Center for Nano-Optoelectronics&Collaborative Innovation Center of Quantum MatterSchool of PhysicsPeking UniversityBeijing 100871China College of Energy Xiamen UniversityXiamen 361102China

The properties of high entropy pyrochlore have been studied extensively,but there is no consistent conclusion on its radiation ***,the mechanism of the high entropy effect on the radiation tolerance of pyrochlore is still *** this work,combined with experiments and calculations of pyrochlores with similar cationic radius ratios,the A-site and B-site high entropy effects on structural evolution under irradiation are *** situ irradiation experiments were carried out on A-site high entropy pyrochlores such as(La_(0.2)Nd_(0.2)Sm_(0.2)Gd_(0.2)Er_(0.2))_(2)Zr_(2)O_(7),B-site Gd_(2)(Ti_(1/3)Sn_(1/3)Zr_(1/3))_(2)O_(7),and ternary pyrochlore Sm_(2)Zr_(2)O_(7) and Gd_(2)Sn_(2)O_(7) for *** A-site high entropy pyrochlore can maintain a stable structure under high fluence irradiation like corresponding ternary pyrochlore,demonstrated by high angle annular dark field scanning transmission electron microscopy(HAADF-STEM),energy dispersive spectroscopy(EDS)mapping and Raman *** additional irradiation experiments on A-site high entropy pyrochlores(La_(1/3)Nd_(1/3)Gd_(1/3))_(2)Zr_(2)O_(7) and(Nd_(1/3)Sm_(1/3)Gd_(1/3))_(2)Zr_(2)O_(7) also confirm the similarity under irradiation between A-site high entropy and ternary ***,the B-site high entropy pyrochlore Gd_(2)(Ti_(1/3)Sn_(1/3)Zr_(1/3))_(2)O_(7) becomes amorphous at exceptionally low irradiation fluences,indicating a significantly distinct radiation tolerance compared with the A-site high *** difference between the A-site and B-site high entropy effect is analyzed from cationic lattice distortion,bond strength,and inner electron binding energy by first-principles *** results reveal the role and mechanism of the high entropy effect in pyrochlores and lay a foundation for material design and future applications.

关键词： High entropy pyrochlores In situ irradiation Crystal overlap Hamilton population Electron binding energy

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Efect of Nanometer WC Coating on Thermal Conductivity of Diamond/6061 Composites

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Acta Metallurgica Sinica(English Letters) 2023年第1期36卷 118-126页

作者： Z.Y.Dong D.Wang W.G.Wang B.L.Xiao Z.Y.Ma Shi-changxu Innovation Center for Advanced Materials Institute of Metal ResearchChinese Academy of SciencesShenyang 110016China School of Materials Science and Engineering University of Science and Technology of ChinaShenyang 110016China Liaoning Shihua University Fushun 113001China

Diamond has poor interface tolerance with *** enhance interface bonding,in this study,tungsten carbide(WC)nanocoatings on the surface of diamond particles were prepared using sol–gel and in-situ reaction ***_(3) sol–gel with two concentrations,0.2 mol/L,and 0.5 mol/L,was,respectively,coated on diamond particles,then sintered at 1250℃for 2 h to produce WC *** concentration of 0.2 mol/L WO_(3) sol–gel was not enough to cover the surface of the diamond completely,while 0.5 mol/L WO_(3) sol–gel could fully cover ***,WO_(3) was preferentially deposited on{100}planes of the ***_(3) converted to WC in-situ nanocoatings after sintering due to the in-situ reaction of WO_(3) and *** diamond-reinforced Al composites with and without WC coating were fabricated by powder *** diamond/Al composite without coating has a thermal conductivity of 584.7 W/mK,while the composite with a coating formed by 0.2 mol/L and 0.5 mol/L WO_(3) sol–gel showed thermal conductivities of 626.1 W/mK and 584.2 W/mK,*** moderate thickness of nanocoatings formed by 0.2 mol/L WO_(3) sol–gel could enhance interface bonding,therefore improving thermal *** nanocoating produced by 0.5 mol/L WO_(3) sol–gel cracked during the fabrication of the composite,leading to Al12W formation and a decrease in thermal conductivity.

关键词： Diamond Al matrix composite Nanometer coating WC Thermal conductivity

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PY-IT,an Excellent Polymer Acceptor

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Chinese Journal of Chemistry 2023年第24期41卷 3714-3728页

作者： Qingqing Bai Qiming Liang Qian Liu Bin Liu Xugang Guo Li Niu Huiliang Sun Center for Advanced Analytical Science Guangzhou Key Laboratory of Sensing Materials and DevicesGuangdong Engineering Technology Research Center for Photoelectric Sensing Materials and DevicesSchool of Chemistry and Chemical EngineeringGuangzhou UniversityGuangzhouGuangdong510006 China Department of Materials Science and Engineering Southern University of Science and Technology (SUSTech)ShenzhenGuangdong518055 China

All-polymer solar cells(all-PSCs)have attracted considerable attention due to their inherent advantages over other types of organic solar cells,including superior optical and thermal stability,as well as exceptional mechanical ***,all-PSCs have experienced remarkable advancements in device performance thanks to the invention of polymerized small-molecule acceptors(PSMAs)since *** these PSMAs,PY-IT has garnered immense interest from the scientific community due to its exceptional performance in *** this review,we presented the design principles of PY-IT and discussed the various strategies employed in device engineering for PY-IT-based *** strategies include additive and interface engineering,layer-by-layer processing methods,meniscus-assisted coating methods,and ternary ***,this review highlighted several novel polymeric donor materials that are paired with PY-IT to achieve efficient ***,we summarized the inspiring strategies for further advancing all-PSCs based on *** strategies aim to enhance the overall performance and stability of all-PSCs by exploring new materials,optimizing device architectures,and improving fabrication *** leveraging these approaches,we anticipate significant progress in the development of all-PSCs and their potential as a viable renewable energy source.

关键词： PY-IT Polymer acceptors Device engineering Organic solar cells Synthesis design

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Waste asphalt derived hierarchically porous carbon for high-performance electrocatalytic hydrogen gas capacitors

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International Journal of Minerals,Metallurgy and Materials 2025年第6期32卷 1461-1470页

作者： Touqeer Ahmad Zhengxin Zhu Muhammad Sajid Weiping Wang Yirui Ma Mohsin Ali Nawab Ali Khan Shuang Liu Zuodong Zhang Wei Chen Department of Applied Chemistry School of Chemistry and Materials ScienceHefei National Research Center for Physical Sciences at the MicroscaleUniversity of Science and Technology of ChinaHefei 230026China

Along with the surging demand for energy storage devices,the cost and availability of the materials remain dominant factors in slowing down their industrial *** repurposing of waste asphalt into high-performance electrode materials is of significant interest,as it holds the potential to circumvent energy and environmental ***,we report the controllable synthesis of asphalt-derived mesoporous carbon as an active material for electrocatalytic hydrogen gas capacitor(EHGC).The hierarchically porous carbon(HPC)with a high surface area of 1943.4 m^(2)·g^(-1)can operate in pH universal aqueous electrolytes in *** displays a specific energy and power density of 57 Wh·kg^(-1)and 554 W·kg^(-1)in neutral electrolyte as well as 52 Wh·kg^(-1)and 657 W·kg^(-1)in acidic ***,the charge storage mechanism of HPC-EHGC is studied with the help of Raman spectroscopy and X-ray photoelectron ***,the assembled HPC-EHGC device displays a discharge capacitance of 170 F·g^(-1)with an excellent capacitance retention rate of 100%up to 20000 cycles at 10 A·g^(-1)in acidic *** work introduces a novel approach to converting waste asphalt into high-performance carbon for EHGC,achieving superior performance over commercial *** simultaneously addressing environmental waste issues and advancing energy storage technology,this study makes a significant contribution to sustainable materials science and next-generation battery development.

关键词： asphalt hierarchically porous carbon hydrogen gas pH universal electrolyte electrocatalytic hydrogen gas capacitor

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Effects of Spin Transition and Cation Substitution on the Optical Properties and Iron Partitioning in Carbonate Minerals

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Acta Geologica Sinica(English Edition) 2023年第1期97卷 350-357页

作者： HU Jun XU Liangxu LIU Jin YUE Donghui Center for High Pressure Science(CHiPS) State Key Laboratory of Metastable Materials Science and TechnologyYanshan UniversityQinhuangdaoHebei 066004China Center for High Pressure Science and Technology Advanced Research Beijing 100193China Heilongjiang Province Key Laboratory of Superhard Materials Department of PhysicsMudanjiang Normal UniversityMudanjiangHeilongjiang 157012China

The high-pressure behavior of deep carbonate dictates the state and dynamics of oxidized carbon in the Earth's mantle,playing a vital role in the global carbon cycle and potentially influencing long-term climate *** absorption and Raman spectroscopic measurements were carried out on two natural carbonate samples in diamond-anvil cells up to 60 ***-substitution in high-spin siderite FeCO_(3)increases the crystal field absorption band position by approximately 1000 cm^(-1),but such an effect is marginal at>40 GPa when entering the low-spin *** crystal field absorption band of dolomite cannot be recognized upon compression to 45.8 GPa at room temperature but,in contrast,the high-pressure polymorph of dolomite exhibits a strong absorption band at frequencies higher than(Mg,Fe)CO_(3)in the lowspin state by 2000–2500 cm^(-1).Additionally,these carbonate minerals show more complicated features for the absorption edge,decreasing with pressure and undergoing a dramatic change through the spin *** optical and vibrational properties of carbonate minerals are highly correlated with iron content and spin transition,indicating that iron is preferentially partitioned into low-spin *** results shed new light on how carbonate minerals evolve in the mantle,which is crucial to decode the deep carbon cycle.

关键词： carbonate petrology/mineralogy mantle high pressure diamond-anvil cell iron spin transition iron partitioning deep carbon cycle

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The thin-wall debit of a typical cast polycrystalline M951 alloy

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Progress in Natural science:Materials International 2022年第1期32卷 104-113页

作者： Qi Li Jun Xie Jin Jiang Yu Delong Shu Guichen Hou Xiaofeng Sun Yizhou Zhou Shi-Changxu Innovation Center for Advanced Materials Institute of Metal Research Chinese Academy of Sciences School of Materials Science and Engineering University of Science and Technology of China

The effect of specimen thickness on the rupture properties of cast Ni-based polycrystal superalloy M951 was investigated in this paper. The results of the rupture tests in air under 980°C/90 MPa revealed that the rupture life and elongation obviously decreased with decreasing specimen thickness. The thin-wall effect for polycrystal superalloy M951 is associated with several factors. First, the surface oxidation and internal nitridation induce the reduction in the load-bearing section, which accelerates the rupture fracture of thin specimens. Second, the combined effect of oxidation and stress at the surface grain boundary facilitates the premature initiation and propagation of the surface cracks in thin specimen. Third, the through-grain boundaries introduce by specimens machining are detrimental for rupture property. A direct comparison of rupture properties of thin-wall samples with different grain morphologies indicate that thin-wall effect can be diminished by avoiding through-grain boundary introduction.

关键词： M951 Thin-wall debit Surface crack Through-grain boundary

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Ultralight and superelastic MXene/reduced graphene oxide aerogels for electromagnetic interference shielding

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Nano research 2025年第1期18卷 1-9页

作者： Xinfeng Zhou Yang Dai Guoyao Yue Yiman Zhang Lulu Li Zhong-Zhen Yu Peng Min Hao-Bin Zhang State Key Laboratory of Organic-Inorganic Composites College of Materials Science and EngineeringBeijing University of Chemical TechnologyBeijing 100029China Beijing Key Laboratory of Advanced Functional Polymer Composites College of Materials Science and EngineeringBeijing University of Chemical TechnologyBeijing 100029China Present address:BOE Technology Innovation Center BOE Technology Group Co.Ltd.Beijing 100176China Xi’an Modern Chemistry Research Institute Xi’an 710065China

Lightweight aerogels feature multifunctionality and a high porosity,yet accompanied with poor structure recovery under large strain *** this work,we develop an air bubble-ice crystal dual template and annealing strategy to integrate low density and high resilience for the conductive transition metal carbides/nitrides(MXene)composite *** air bubbles and ice crystals synergistically exclude the nanosheets to the gas-liquid interfaces,thereby constructing unique Y-shaped junctions and robust *** annealing process greatly enhances the interlayer *** external load,the Yshaped structures prevent the stress concentration at the junctions by transferring the forces to the skeleton for maintaining structural *** addition,the wrinkled and thick cell walls,together with the enhanced interlayer interactions,endow the aerogel with exceptional structural stability and *** a result,the MXene/reduced graphene oxide(RGO)composite aerogels exhibit superelasticity with reversible compressive strains of up to 95%.In addition,the electron bridging effect of the RGO sheets affords the aerogel to deliver excellent electromagnetic interference shielding performance,as high as 46.3 dB at 2.5 ***,the remarkable reshapeability of the aerogels allows for precise regulation of structure and performance(33.5-75.1 dB)by a simple wetting compression *** summary,this work offers helpful inspirations for developing lightweight and superelasticity aerogels for extensive applications.

关键词： lightweight superelasticity MXene aerogel electromagnetic interference shielding reshapeability

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Screening A-site ordered quadruple perovskites for alkaline hydrogen evolution reaction via unifying electronic configuration descriptor

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Chinese Physics B 2024年第12期33卷 448-456页

作者： Ning Sun Wenbo Li Yang Qin Zhichuan Zheng Bowen Zhang Xiangjiang Dong Peng Wei Yixiao Zhang Xian He Xinyu Xie Kai Huang Lailei Wu Ming Lei Huiyang Gou Runze Yu State Key Laboratory of Information Photonics and Optical Communications School of ScienceBeijing University of Posts and Telecommunications(BUPT)Beijing 100876China Center for High Pressure Science and Technology Advanced Research Beijing 100193China College of Material Science and Engineering Liaoning Technical UniversityFuxin 123000China College of Material Science and Engineering Yanshan UniversityQinhuangdao 066004China

Dynamic adsorption processes of reaction intermediates for alkaline hydrogen evolution(HER)catalysts are still confusing to ***,we report a series of A-site ordered quadruple perovskite ruthenium-based electrocatalysts ACu_(3)Ru_(4)O_(12)(A=Na,Ca,Nd,and La),with the target sample SrCu_(3)Ru_(4)O_(12)exhibiting a very low overpotential(46 mV@10 mA·cm^(-2))and excellent catalytic stability with little decays after 48-h durability *** tuning A-site cations can change the average valence state of Cu and Ru,thus the plot of HER activity versus the average Ru valence number shows a volcano-type *** functional theory indicates that the Ru 4d orbitals of SrCu3Ru4O12possesses the most suitable d-band center position among the five samples,which might be the key parameter to determine the catalytic *** work provides further insight into the discovering advanced,efficient hydrogen evolution catalysts through designing precise descriptor.

关键词： Ru-based electrocatalyst density functional theory descriptor quadruple perovskites hydrogen evolution reaction

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