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Effective suppression of surface cation segregations on double perovskite oxides through entropy engineering

Journal of Rare Earths 2025年第2期43卷 345-353,I0005页

作者： Zhe Wang Mengke Yuan Juntao Gao Hongru Hao Jingwei Li Lingling Xu Zhe Lv Bo Wei School of Physics Harbin Institute of TechnologyHarbin150001China Faculty of Engineering University of Bayreuth95448BayreuthGermany State Key Laboratory of Rare Earth Resource Utilization Changchun Institute of Applied ChemistryChinese Academy of SciencesChangchun130022China Key Laboratory of Photonic and Electric Band Gap Materials Ministry of EducationSchool of Physics and Electronic EngineeringHarbin Normal UniversityHarbin150025China

Cation segregation on cathode surfaces plays a key role in determining the activity and operational stability of solid oxide fuel cells(SOFCs).The double perovskite oxide PrBa_(0.8)Ca_(0.2)Co_(2)O_(5+δ)(PBCC)has been widely studied as an active cathode but still suffer from serious detrimental *** enhance the cathode stability,a PBCC derived A-site medium-entropy Pr_(0.6)La_(0.1)Nd_(0.1)Sm_(0.1)Gd_(0.1)Ba_(0.8)Ca_(0.2)Co_(2)O_(5+δ)(ME-PBCC)oxide was prepared and its segregation behaviors were investigated under different *** with initial PBCC oxide,the segregations of BaO and Co_(3)O_(4)on the surface of ME-PBCC material are significantly suppressed,especially for Co_(3)O_(4),which is attributed to its higher configuration *** results also confirm the improved electrochemical performance and structural stability of ME-PBCC material,enabling it as a promising cathode for SOFCs.

关键词： Solid oxide fuel cells Cathode Double perovskite Configuration entropy Cation segregation Rare earths

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Divertor heat flux challenge and mitigation in the EHL-2 spherical torus

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Plasma Science and technology 2025年第2期27卷 97-109页

作者： Fuqiong WANG Xiang GU Jiankun HUA Yumin WANG Xiaokun BO Bo CHEN Yuejiang SHI Shuai XU Erhui WANG Yunfeng LIANG the EHL-2 Team College of Physics Donghua UniversityShanghai 201620People’s Republic of China Hebei Key Laboratory of Compact Fusion Langfang 065001People’s Republic of China ENN Science and Technology Development Co. Ltd.Langfang 065001People’s Republic of China International Joint Research Laboratory of Magnetic Confinement Fusion and Plasma Physics State Key Laboratory of Advanced Electromagnetic Engineering and TechnologySchool of Electrical and Electronic EngineeringHuazhong University of Science and TechnologyWuhan 430074People’s Republic of China Forschungszentrum Jülich GmbH Institute of Fusion Energy and Nuclear Waste Management-Plasma PhysicsJülich 52425Germany

The divertor design is critical to heat load handling and thus to achievements of highperformance plasma operations in the EHL-2(ENN He-Long 2)*** paper presents the design of an X-point target(XPT)divertor,featuring a conventional inner divertor and an XPT outer divertor,aimed at the effective control of heat loads,which may be extremely high during high ion temperature *** divertor target plates are made from carbon-based materials,which can handle heat loads of up to 5 MW/m².Divertor performances,including the heat load controllability,the onset of detachment and the in-out/up-down asymmetry,etc.,are evaluated using both the simple particle-tracking strategy and the complicated SOLPS-ITER *** attention is paid to the drift effects on particle/heat transport in the divertor/scrape-off layer region and on the divertor heat loads,focusing on the semi-detached/detached operation *** from SOLPS-ITER simulations demonstrated that the currently designed magnetic equilibrium and divertor configuration can effectively handle the power heat load in EHL-2.

关键词： heat flux divertor EHL-2

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Measurements of^(27)Al(γ,n)reaction using quasi-monoenergeticγbeams from 13.2 to 21.7 MeV at SLEGS

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nuclear Science and Techniques 2025年第4期36卷 163-170页

作者： Pu Jiao Zi-Rui Hao Qian-Kun Sun Long-Xiang Liu Hang-Hua Xu Yue Zhang Meng-Die Zhou Zhi-Cai Li Wen Luo Yu-Xuan Yang Sheng Jin Kai-Jie Chen Shan Ye Zhen-Wei Wang Yu-Ting Wang Hui-Ling Wei Yao Fu Kun Yu Hong-Wei Wang Gong-Tao Fan Chun-Wang Ma School of Physics Centre for Theoretical PhysicsHenan Normal UniversityXinxiang 453007China Shanghai Advanced Research Institute Chinese Academy of SciencesShanghai 201204China Shanghai Institute of Applied Physics Chinese Academy of SciencesShanghai 201800China University of Chinese Academy of Science Beijing 100080China College of Physics Centre for Theoretical PhysicsHenan Normal UniversityXinxiang 453007China School of Nuclear Science and Technology University of South ChinaHengyang 421001China School of Physics Zhengzhou UniversityZhengzhou 450001China ShanghaiTech University Shanghai 201210China China Institute of Atomic Energy Beijing 102413China School of Physics Henan Normal UniversityXinxiang 453007China Henan Key Laboratory of Infrared Material&Spectrum Measures and Applications Henan Normal UniversityXinxiang 453007China Institute of Nuclear Science and Technology Henan Academy of SciencesZhengzhou 450046China

The accurate photoneutron cross section of the^(27)Al nucleus has a significant impact on resolving differences in existing experimental data and enhancing the precision of nuclear reaction rate calculations for^(26)Al in nuclear *** photoneutron cross sections for the^(27)Al(γ,n)^(26)Al reaction,within the neutron separation energy range of 13.2-21.7 MeV,were meticulously measured using a new flat efficiency detector array at the Shanghai Laser-Electron Gamma *** uncertainty of the data was controlled to below 4%throughout the process,and inconsistencies between the present data and existing data from different gamma sources,as well as the TENDL-2021 data,are discussed in *** discussions provide a valuable reference for addressing discrepancies in the^(27)Al(γ,n)^(26)Al cross-section data and improving related theoretical calculations.

关键词： Photoneutron cross section Flat efficiency detector Laser Compton scattering γRays SLEGS

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Tuning the Magnetic Coupling of a Porphyrin with the Substrate through the Intramolecular Cyclization Reaction

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Chinese physics Letters 2025年第3期42卷 186-196页

作者： Yixuan Gao Lei Tao Dongfei Wang Hui Guo Hui Chen State Key Laboratory for Advanced Metals and Materials University of Science and Technology BeijingBeijing 100083China Beijing National Center for Condensed Matter Physics and Institute of Physics Chinese Academy of SciencesBeijing 100190China School of Physical Sciences University of Chinese Academy of SciencesBeijing 100190China

One of the primary objectives in molecular nano-spintronics is to manipulate the electronic configurations of organic molecules with a d-electron center by suitable external ***,we demonstrate the tuning of the electronic configuration of tetrakis(pentafluorophenyl)porphyrin(FeF20TPP)molecules on the Au(111)surface through a thermally induced intramolecular quadrauplicate cyclization *** the reaction,the electronic configuration of a FeF20TPP molecule on the Au(111)surface changes from(d_(z)^(1)2d_(π)^(2))to(d_(z)^(2)2d_(π)^(2)).We attribute this change to significant difference in the adsorption height and variations in coupling between the orbitals of central metal atoms and the Au(111)*** further validate this mechanism,we substituted the central Fe ion with a Mn ion,predicting that an electronic configuration transition would not occur in MnF_(20)TPP and its ***-temperature scanning tunneling microscopy(STM)revealed that the FeF20TPP on Au(111)exhibits no Kondo resonance,while its cyclization product exhibits Kondo dip near the Fermi level(E_(F)).In contrast,both the MnF_(20)TPP and its product show pronounced Kondo dip at E_(F).Our work marks a significant step forward in controlling molecular electronic configuration through on-surface chemical reactions,paving the way for advanced molecular spintronics.

关键词： reaction surface Kondo

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Modulating the Switching Performance of Fulgimide-Based Molecular Junctions through Atomic Substituents

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Journal of Physical Chemistry C 2025年第19期129卷 9114-9119页

作者： Fang, Zhihang Liu, Yang Ma, Ziwei Tian, Guangjun Ma, Liang State Key Laboratory of Metastable Materials Science & Technology Key Laboratory for Microstructural Material Physics of Hebei Province School of Science Yanshan University Qinhuangdao066004 China

The development of molecular switches with high stability and performance continues to be a focal point in the field of molecular electronics. Among these, fulgimide, a representative photochromic molecule, holds significant promise as a photoswitch due to its capability to undergo reversible conformational changes. In this study, the nonequilibrium Green’s function (NEGF) method, combined with density functional theory (DFT), is employed to investigate the transport properties of fulgimide-based molecular junctions derived from the furan (O), thiophene (S), and indole (N) classes. key calculations, including current-voltage (I-V) characteristics, transmission spectra, and switching ratios, demonstrate that fulgimide-based molecular junctions exhibit pronounced switching behavior and negative differential resistance effects. The observed switching ratio (O > S > N) suggests that modifying the central molecular unit enables effective tuning of the junction’s properties. Furthermore, detailed analyses using the molecular projected self-consistent Hamiltonian (MPSH) and real-space eigenchannels provide valuable insights into the underlying mechanisms driving the observed transport phenomena. © 2025 American Chemical Society.

关键词： Density functional theory

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Neutrinoless double-beta decay in a finite volume from relativistic effective field theory

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Physical Review D 2025年第1期111卷 014507-014507页

作者： Y. L. Yang P. W. Zhao State Key Laboratory of Nuclear Physics and Technology School of Physics Peking University Beijing 100871 China

The neutrinoless double-beta decay process nn→ppee within the light Majorana-exchange scenario is studied using the relativistic pionless effective field theory (EFT) in finite-volume cubic boxes with the periodic boundary conditions. Using the low-energy two-nucleon scattering observables from lattice quantum chromodynamics (QCD) available at mπ=300, 450, 510, and 806 MeV, the leading-order nn→ppee transition matrix elements are predicted and their volume dependence is investigated. The predictions for the nn→ppee transition matrix elements can be directly compared to the lattice QCD calculations of the nn→ppee process at the same pion masses. In particular for the matrix element at mπ=806 MeV, the predictions with relativistic pionless EFT are confronted to the recent first lattice QCD evaluation. Therefore, the present results are expected to play a crucial role in the benchmark between the nuclear EFTs and the upcoming lattice QCD calculations of the nn→ppee process, which would provide a nontrivial test on the predictive power of nuclear EFTs on neutrinoless double-beta decay.

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Growth of CeCo-MOF in dendritic mesoporous organosilica as highly efficient antioxidant for enhanced thermal stability of silicone rubber

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Chinese Chemical Letters 2025年第1期36卷 381-386页

作者： Guizhi Zhu Junrui Tan Longfei Tan Qiong Wu Xiangling Ren Changhui Fu Zhihui Chen Xianwei Meng State Key Laboratory of Cryogenic Science and Technology Technical Institute of Physics and ChemistryChinese Academy of SciencesBeijing 100190China School of Materials Science and Engineering Changzhou UniversityChangzhou 213164China

High-efficient rubber antioxidants for enhanced heat resistance without compromising mechanical properties remain an enormous and long-term challenge for the rubber ***,we employed the in-situ growth of Ce-doped Co-metal-organic framework(Ce Co-MOF)in dendritic mesoporous organosilica nanoparticles(DMONs@Ce Co-MOF,denoted as DCCM)to prepare a novel antioxidant that exhibit outstanding thermal *** mesoporous organosilica nanoparticles(DMONs)effectively alleviated the incompatibility of Ce Co-MOF in the polymer matrix,and the effective scavenging of free radicals was attributed to the various oxidation states of metal ions in Ce ***,by adding only0.5 phr(parts per hundred of rubber)of DMONs@Ce Co-MOF to silicone rubber,(SR),the retention rate of tensile strength increased from 37.3%to 61.6%after aging 72 h at 250℃,and the retention rate of elongation at break of DCCM/SR1 composites reached 68%,which was 5.43 times of *** strategy of anchoring MOFs on the surface of silica also provides a viable method for preparing effective compound functionalized rubber antioxidant.

关键词： Mesoporous organosilica nanoparticles Silicone rubber Metal-organic framework Antioxidants Thermal stability Thermal oxidative degradation

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NiSe nanoparticles anchored on hollow carbon nanofibers with enhanced rate capability and prolonged cycling durability for sodium-ion batteries

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Rare Metals 2025年第1期44卷 185-194页

作者： Li-Jun Xu Xue-Jie Wang Guo-Yu Tang Bi-Cheng Zhu Jia-Guo Yu Liu-Yang Zhang Tao Liu Faculty of Materials Science and Chemistry China University of GeosciencesWuhan 430078China School of Chemistry and Physics Queensland University of TechnologyBrisbaneQLD 4000Australia State Key Laboratory of Advanced Technology for Materials Synthesis and Processing Wuhan University of TechnologyWuhan 430070China

Nickel selenides have been studied as potential anode materials for sodium-ion batteries due to their high theoretical ***,the low electrical conductivity and the large volumetric variation during the charging/discharging process greatly reduce the specific capacity and cycling lifespan of the *** this paper,a simple strategy to fabricate NiSe nanoparticles enclosed in carbon hollow nanofibers(NiSe/C@CNF)is proposed,involving the preparation of Ni-precursor nanofibers by electrospinning,the coating of polydopamine and the formation of NiSe/C@CNF by calcination and *** combination of NiSe nanoparticles and porous carbon hollow nanofibers creates a strong conductive environment,which enhances the dynamic ability of sodium-ion transport and improves charge storage *** fabricated NiSe/C@CNF material exhibits excellent *** demonstrates a high rate capability,with specific capacities of 406.8 and 300.1 mAh·g^(-1)at 0.1 and 5.0 A·g^(-1),*** results highlight the potential of NiSe/C@CNF as an anode material for sodium-ion batteries,offering a large capacity and long life.

关键词： Nickel selenide Hollow porous structure Sodium storage Anode material

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Controllable synthesis and structure-activity relationship of Ni doping in SmCrO3 for improved magnetic and dielectric properties

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International Journal of Minerals, Metallurgy and Materials 2025年 1-11页

作者： Huang, Wenjie Li, Rui Zhang, Ruoxuan Cui, Yimin Wang, Rongming Beijing Key Laboratory for Magneto–Photoelectrical Composite and Interface Science State Key Laboratory for Advanced Metals and Materials School of Mathematics and Physics University of Science and Technology Beijing Beijing100083 China School of Physics Beihang University Beijing100191 China

Doping small amounts at the A-site or B-site of SmCrO3 ceramics is a promising approach for modifying their microstructure, as well as their magnetic and dielectric properties. In this study, polycrystalline ceramics of Sm1−xNixCrO3 (x = 0, 0.05, and 0.20) and SmCr1−yNiyO3 (y = 0.05 and 0.20) were synthesized via a conventional solid-state reaction. X-ray diffraction validated that all the doped ceramics maintained an orthorhombic crystalline structure consistent with the Pbnm space group. Furthermore, X-ray photoelectron spectroscopy demonstrated the presence of Ni2+ ions in the doped specimens. Notably, doping resulted in significant enhancement of low-temperature magnetic properties, particularly in samples doped at the A-site, such as Sm0.80Ni0.20CrO3. Compared with the pristine sample, the maximum magnetization of Sm0.80Ni0.20CrO3 increased by approximately 60.9% and 93.5% in the zero-field cooling and field-cooling modes, respectively, in an external magnetic field of 100 Oe. Furthermore, the dielectric constants of the Ni-doped ceramics initially exceeded that of the pristine sample as the temperature increased. At equivalent doping ratios, A-site doping demonstrated superior performance over B-site doping, including higher magnetization, lower dielectric loss, and enhanced electrical quality factors. © University of Science and technology Beijing 2025.

关键词： Dielectric properties of solids

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Research on accurate virtual trajectory length model for TGS transmission measurement

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nuclear Science and Techniques 2025年第3期36卷 178-188页

作者： Rong-Rong Su San-Gang Li Chu-Xiang Zhao Li Yang Ming-Zhe Liu Shan Liao Zhi Zhou Qing-Shan Tan Zhi-Xing Gu Xian-Guo Tuo Yi Cheng College of Nuclear Technology and Automation Engineering Chengdu University of Technology1#DongsanluErxianqiaoChengdu 610059China Applied Nuclear Technology in Geosciences Key Laboratory of Sichuan Province (Chengdu University of Technology)1#DongsanluErxianqiaoChengdu 610059China University of Science and Technology of China Hefei 230026China School of Physics and Electronic Engineering Sichuan University of Science and EngineeringZigong 643000China

To accurately reconstruct the tomographic gamma scanning(TGS)transmission measurement image,this study optimized the transmission reconstruction equation based on the actual situation of TGS transmission *** the transmission reconstruction equation and the Monte Carlo program Geant4,an innovative virtual trajectory length model was *** model integrated the solving process for the trajectory length and detection efficiency within the same *** mitigate the influence of the angular distribution ofγ-rays emitted by the transmitted source at the detector,the transport processes of numerous particles traversing a virtual nuclear waste barrel with a density of zero were ***,a certain amount of information was captured at each step of particle ***,the model addressed the nonuniform detection efficiency of the detector end face by considering whether the energy deposition of particles in the detector equaled their initial *** models were established to validate the accuracy and reliability of the virtual trajectory length *** 1 was a simplified nuclear waste barrel,whereas Model 2 closely resembled the actual structure of a nuclear waste *** results indicated that the proposed virtual trajectory length model significantly enhanced the precision of the trajectory length determination,substantially increasing the quality of the reconstructed *** example,the reconstructed images of Model 2 using the“point-to-point”and average trajectory models revealed a signalto-noise ratio increase of 375.0%and 112.7%,***,the virtual trajectory length model proposed in this study holds paramount significance for the precise reconstruction of transmission ***,it can provide support for the accurate detection of radioactive activity in nuclear waste barrels.

关键词： Tomographic gamma scanning Transmission measurement reconstruction Geant4 Trajectory length model Nonuniform detection efficiency

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