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Tailoring d-band center over electron traversing effect of Ni M@C-CoP(M=Zn,Mo,Ni,Co)for high-performance electrocatalysis hydrogen evolution

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Journal of Materials science & Technology 2023年第35期166卷 164-172页

作者： Hao Luo Xudong Zhang Hui Zhu Kexin Zhang Fan Yang Kewei Xu Sen Yu Dagang Guo State Key Laboratory for Mechanical Behavior of Materials School of Materials Science and EngineeringXi’an Jiaotong UniversityXi’an710049China Center for High Performance Computing Network Information CenterXi’an Jiaotong UniversityXi’an710049China State Key Laboratory for Manufacturing Systems Engineering Xi’an Jiaotong UniversityXi’an710049China Shaanxi Key Laboratory of Biomedical Metal Materials Northwest Institute for Non-ferrous Metal ResearchXi’an710016China

Attaining a highly efficient and inexpensive electrocatalyst is significant for the hydrogen evolution reaction(HER)but still challenging *** transition-metal phosphides(TMPs)catalysts with platinum-like electronic structures are a potential candidate for the HER,but those are prone to be strongly bound with hydrogen intermediates(H∗),resulting in sluggish HER *** we report a unique hybrid structure of CoP anchored on graphene nanoscrolls@carbon nano tubes(CNTs)scaffold(Ni M@C-CoP)encapsulating various Ni M(M=Zn,Mo,Ni,Co)bimetal nanoalloy via chemical vapor deposi-tion(CVD)growth of CNT on graphene nanoscrolls followed by the impregnation of cobalt precursors and phosphorization for efficiently electrocatalytic hydrogen *** nanoparticles mainly scattered at the tip of CNT branches which exhibited the analogical“Three-layer core-shell”*** and density functional theory(DFT)calculations consistently disclose that the encapsulated various NiMs can offer different numbers of electrons to weaken the interactions of outmost CoP with H∗and push the downshift of the d-band center to different degrees as well as stabilize the outmost CoP nanopar-ticles to gain catalytic stability via the electron traversing *** electrocatalytic HER activity can be maximumly enhanced with low overpotentials of 78 mV(alkaline)and 89 mV(acidic)at a current density of 10 mA/cm^(2) and sustained at least 24 h especially for NiZn@C-CoP *** novel system is distinct from conventional three-layer heterostructure,providing a specially thought of d-band center control engineering strategy for the design of heterogeneous catalysts and expanding to other electrocat-alysts,energy storage,sensing,and other applications.

关键词： Electron traversing effect 3D graphene/CNT CoP nanoparticle d-band center Hydrogen evolution

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Design and performance evaluation of a novel ranging signal based on an LEO satellite communication constellation

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Geo-Spatial Information science 2023年第1期26卷 107-124页

作者： Jingfang Su Jia Su Qingwu Yi Cailun Wu Weimin Hou School of Information Science and Engineering Hebei University of Science and TechnologyShijiazhuangChina The State Key Laboratory of Satellite Navigation System and Equipment Technology ShijiazhuangChina

Driven by improvements in satellite internet and Low Earth Orbit(LEO)navigation augmenta-tion,the integration of communication and navigation has become increasingly common,and further improving navigation capabilities based on communication constellations has become a significant *** the context of the existing Orthogonal Frequency Division Multiplexing(OFDM)communication systems,this paper proposes a new ranging signal design method based on an LEO satellite communication *** LEO Satellite Communication Constellation Block-type Pilot(LSCC-BPR)signal is superimposed on the com-munication signal in a block-type form and occupies some of the subcarriers of the OFDM signal for transmission,thus ensuring the continuity of the ranging pilot signal in the time and frequency *** estimation in the time and frequency domains is performed to obtain the relevant distance value,and the ranging accuracy and communication resource utilization rate are *** characterize the ranging performance,the Root Mean Square Error(RMSE)is selected as an evaluation *** show that when the number of pilots is 2048 and the Signal-to-Noise Ratio(SNR)is 0 dB,the ranging accuracy can reach 0.8 m,and the pilot occupies only 50%of the communication subcarriers,thus improving the utilization of communication resources and meeting the public demand for communication and location services.

关键词： Integration of communication and navigation LEO communication constellation ranging LEO navigation augmentation satellite internet

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Energy consumption simulations of rural residential buildings considering differences in energy use behavior among family members

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Building Simulation 2024年第8期17卷 1335-1358页

作者： Xi Luo Lina Du School of Building Services Science and Engineering Xi'an University of Architecture and Technology(XAUAT)Xi'an 710055China State Key Laboratory of Green Building Xi'an 710055China

The“average occupant”methodology is widely used in energy consumption simulations of residential buildings;however,it fails to consider the differences in energy use behavior among family *** on a field survey on the Central Shaanxi Plain,to identify the energy use behavior patterns of typical families,a stochastic energy use behavior model considering differences in energy use behavior among family members was proposed,to improve the accuracy of energy consumption simulations of residential *** results indicated that the surveyed rural families could be classified into the following four types depending on specific energy use behavior patterns:families of one elderly couple,families of one middle-aged couple,families of one elderly couple and one child,and families of one couple and one ***,on typical summer days,the results of daily building energy consumption simulation obtained by the“average occupant”methodology were 25.39%and 28%lower than the simulation results obtained by the model proposed in this study for families of one elderly couple and families of one middle-aged couple,and 13.05%and 23.05%higher for families of one elderly couple and one child,and families of one couple and one *** typical winter days,for the four types of families,the results of daily building energy consumption simulation obtained by the“average occupant”methodology were 21.69%,10.84%,1.21%,and 8.39%lower than the simulation results obtained by the model proposed in this study,respectively.

关键词： typical energy use behavior pattern differences in occupant behavior building energy consumption simulation stochastic energy use behavior simulation

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Effects of mechanical vibration on filling and solidification behavior, microstructure and performance of Al/Mg bimetal by lost foam compound casting

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China Foundry 2023年第6期20卷 469-479页

作者： Guang-yu Li Feng Guan Wen-ming Jiang Yuan-cai Xu Zheng Zhang Zi-tian Fan State Key Laboratory of Materials Processing and Die&Mould Technology School of Materials Science and EngineeringHuazhong University of Science and TechnologyWuhan 430074China

Al/Mg bimetal was prepared by lost foam solid-liquid compound casting,and the effects of mechanical vibration on the filling and solidification behavior,microstructure and performance of the bimetal were *** show that the mechanical vibration has a remarkable influence on the filling and solidification *** is found that after mechanical vibration,the filling rate increases and the filling rate at different times is more uniform than that without *** addition,the mechanical vibration also increases the wettability between liquid AZ91D and A356 *** mechanical vibration reduces the horizontal and vertical temperature gradient of the casting and makes the temperature distribution of the whole casting more *** to the Al/Mg bimetal without vibration,the shear strength is improved by 39.76%after the mechanical vibration is applied,due to the decrease of the inclusions and Al_(12)Mg_(17) dendrites,and the refinement and uniform distribution of the Mg_(2)Si particles in the interface of the Al/Mg bimetal.

关键词： lost foam casting filling and solidification processes Al/Mg bimetal mechanical vibration microstructure mechanical properties

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Effect of order–disorder transition on thermodynamic and electronic properties of σ and χ phases in W–Re alloy: the first-principles calculation

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Tungsten 2025年第1期7卷 195-213页

作者： Zhi-Peng Zhu Dian Jia William Yi Wang Jun-Lei Yin Xing-Yu Gao Shu-Feng Yang Hai-Feng Song Jin-Shan Li State Key Laboratory of Solidification Processing Northwestern Polytechnical University Laboratory of Computational Physics Institute of Applied Physics and Computational Mathematics School of Metallurgical and Ecological Engineering University of Science and Technology Beijing

The Tungsten-Rhenium(W-Re) alloys,celebrated for their high melting point,strength at elevated temperatures,electrical resistivity,and radiation resistance,have been widely utilized in high-temperature components,aerospace,electronics,and nuclear *** constituents of the topologically close-packed(TCP) phases,the sigma phase(σ) and chi phase(χ) formed within W-Re alloys wield considerable influence on the mechanical properties and the stability of the *** calculations were utilized in the present work to explore the structural,thermodynamic,and electronic properties of both ordered and disordered configurations within the σ and χ phases,culminating in a systematic elucidation of the higher phase stability exhibited by the ordered *** is found that the bulk modulus of these two phases is directly proportional to the concentration of Re in the alloy,while the equilibrium volume is inversely *** thermodynamic parameters of the σ and χ phases are calculated via the mean-field potential *** similar trends observed in the isobaric heat capacity,enthalpy increment,and entropy change curves for these two phases suggest they possess comparable thermodynamic *** is noteworthy that the contribution of ionic vibrations predominantly affects the isobaric heat capacity,while the contribution of thermal electronic excitations increases linearly with *** the structure and thermodynamic properties of TCP phases in W-Re alloys at low temperatures has profound significance for optimizing material performance,microstructures features,establishing theoretical foundations,and predicting material behavior.

关键词： First-principles calculations Phase stability Thermodynamic properties W-Re alloy TCP phases

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Converting intercalation-type cathode in spent lithium-ion batteries into conversion-type cathode

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Nano Research 2024年第5期17卷 4602-4609页

作者： Dingding Zhu Yong Su Jingzhao Chen Xiangze Ou Xuedong Zhang Wen Xie Yuyan Zhou Yunna Guo Qiushi Dai Peng Jia Jitong Yan Lin Geng Baiyu Guo Liqiang Zhang Yongfu Tang Qiao Huang Jianyu Huang School of Materials Science and Engineering Xiangtan UniversityXiangtan 411105China Clean Nano Energy Center State Key Laboratory of Metastable Materials Science and TechnologyYanshan UniversityQinhuangdao 066000China

The widespread applications of lithium-ion batteries(LIBs)generate tons of spent ***,recycling LIBs is of paramount importance in protecting the environment and saving the *** commercialized LIBs mostly adopt layered oxides such as LiCoO_(2)(LCO)or LiNi_(x)Co_(y)Mn_(1-x-y)O_(2)(NMC)as the cathode *** the intercalation-type spent oxides into conversion-type cathodes(such as metal fluorides(MFs))offers a valid recycling strategy and provides substantially improved energy densities for ***,two typical Co-based cathodes,LCO and LiNi_(0.6)Co_(0.2)Mn_(0.2)O_(2)(NMC622),in spent LIBs were successfully converted to CoF_(2) and(Ni_(x)Co_(y)Mn_(z))F_(2) cathodes by a reduction and fluorination *** as converted CoF_(2) and(Ni_(x)Co_(y)Mn_(z))F_(2) delivered cell energy densities of 650 and 700 Wh/kg,*** atomic-level electron microscopy revealed that the used LCO and NMC622 were converted to highly phase pure Co metal and Ni_(0.6)Co_(0.2)Mn_(0.2) alloys in the used graphite-assisted reduction roasting,simultaneously producing the important product of Li_(2)CO_(3) using only environment friendly *** study provided a versatile strategy to convert the intercalation-type Co-based cathode in the spent LIBs into conversion-type MFs cathodes,which offers a new avenue to recycle the spent LIBs and substantially increase the energy densities of next generation LIBs.

关键词： spent lithium-ion batteries recycling energy densities conversion-type cathode

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High-entropy sulfurization enables efficient non-noble metal-based NiCoFeCuS electrocatalyst for alkaline oxygen evolution reaction

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Particuology 2024年第10期93卷 180-185页

作者： Pan Yang Mengxiang Sun Jingchuan Wang Jinfeng Li Ruizhu Yang Yawei Hao Li Qi Lijun Yang Xue Liu Institute of Materials China Academy of Engineering PhysicsJiangyou621908China State Key Laboratory of Metastable Materials Science and Technology Yanshan UniversityQinhuangdao066004China Science and Technology on Surface Physics and Chemistry Laboratory Jiangyou621907China

Highly active and cost-effective oxygen evolution reaction electrocatalysts have become essential to replace commercial electrocatalysts that rely on rare noble ***-entropy sulfide nanomaterials,characterized by abundant randomly distributed elements and inherent stability,possess significant potential for ***,challenges such as uneven composition,partial oxidation,or imprecise synthesis control still remain in the materials ***,a simple and effective two-step hydrothermal method was employed to synthesize NiCoFeCuS nanoparticles supported on foam nickel *** the catalytic active sites produced by electron density redistribution in high-entropy and sulfurization,NiCoFeCuS exhibits excellent alkaline OER performance,with an overpotential of 261 mV and a Tafel slope of 57.97 mV dec^(−1) at the current density of 10 mA cm^(−2),which is only 88%of commercial RuO_(2) without any noble metals.

关键词： High-entropy Sulfurization NiCoFeCuS electrocatalyst Oxygen evolution reaction Overpotentials

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Enhanced room temperature CO2 photoreduction on gas-solid interfaces using nanocrystals integrated with ZIF-8 wrapping design

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材料科学技术（英文版） 2025年第6期209卷 55-63页

作者： Xiaoxiong Hou Zhuangzhuang Ma Zhilei Zhang Xiaotong Gao Hongqiang Wang Lichao Jia Key Laboratory of Applied Surface and Colloid Chemistry Shaanxi Key Laboratory for Advanced Energy DevicesShaanxi Engineering Lab for Advanced Energy TechnologySchool of Materials Science and EngineeringNational Ministry of EducationShaanxi Normal UniversityXi'an 710119China Beijing National Laboratory for Molecular Sciences Key Laboratory of Organic SolidsInstitute of ChemistryChinese Academy of SciencesBeijing 100190China University of the Chinese Academy of Sciences Beijing 100049China State Key Laboratory of Solidification Processing Center for Nano Energy MaterialsSchool of Materials Science and EngineeringNorthwestern Polytechnical University and Shaanxi Joint Laboratory of GrapheneXi'an 710072China

Composites derived from metal-organic frameworks(MOFs)show promise as catalysts for the photocat-alytic reduction of ***,their potential is hindered by constraints such as limited light absorp-tion and sluggish electron transfer and separation,impacting the overall efficiency of the photocatalytic *** this study,TiO2 nanocrystals,modified with Ptx+,underwent laser etching were encapsulated within the traditional MOF-ZIF-8 *** enhanced the adsorption capabilities for CO2 reactants and solar light,while also facilitating directed electron transfer and the separation of photogenerated *** finely-tuned catalyst demonstrates impressive CH4 selectivity at 9.5％,with yields of 250.24 μmol g-1 h-1 for CO and 25.43 μmol g-1 h-1 for CH4,utilizing water as a hole trap and H+*** study demonstrates the viability of achieving characteristics related to the separation of photogen-erated charges in TiO2 nanocrystals through laser etching and MOF composite *** offers novel perspectives for designing MOF-based catalysts with enhanced performance in artificial photosynthesis.

关键词： CO2 photoreduction Nanocrystals TiO2 ZIF-8 Wrapping structure

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Advances in Nonwoven‑Based Separators for Lithium‑Ion Batteries

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Advanced Fiber Materials 2023年第6期5卷 1827-1851页

作者： Yan Yu Man Liu Ziye Chen Zhihao Zhang Tian Qiu Zexu Hu Hengxue Xiang Liping Zhu Guiyin Xu Meifang Zhu State Key Laboratory for Modification of Chemical Fibers and Polymer Materials College of Materials Science and EngineeringDonghua UniversityShanghai 201620China State Key Laboratory for Modification of Chemical Fibers and Polymer Materials College of Mechanical and EngineeringDonghua UniversityShanghai 201620China School of Materials Science and Engineering State Key Laboratory of Silicate Materials for ArchitecturesWuhan University of TechnologyWuhan 430070China

Lithium-ion batteries(LIBs)are energy-storage devices with a high-energy density in which the separator provides a physical barrier between the cathode and anode,to prevent electrical short *** meet the demands of high-performance batteries,the separator must have excellent electrolyte wettability,thermotolerance,mechanical strength,highly porous structures,and ionic *** nonwoven-based separators have been used in LIBs due to their high porosity and large surface-to-volume ***,the fabrication of multi-functional fibers,the construction of nonwoven separators,and their integration into energy-storage devices present grand challenges in fundamental theory and practical ***,we systematically review the up-to-date concerning the design and preparation of nonwoven-based separators for *** progress in monolayer,composite,and solid electrolyte nonwoven-based separators and their fabrication strategies is *** challenges and directions toward advancements in separator technologies are also discussed to obtain separators with remarkable performance for high-energy density batteries.

关键词： Nonwoven-based separators Monolayer separators Composite separators Solid electrolyte separators

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Impact of annealing on structural and corrosion resistance properties of Ti_(20)Zr_(20)Hf_(20)Be_(20)Ni_(20)high-entropy metallic glass

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Rare Metals 2025年第1期44卷 565-580页

作者： Ke-Ran Li Pan Gong Dong-Liang Wang Cheng Zhang Hu Huang Muhammad Yasir Mao Zhang Xin-Yun Wang State Key Laboratory of Materials Processing and Die&Mould Technology School of Materials Science and EngineeringHuazhong University of Science and TechnologyWuhan 430074China Research Institute of Huazhong University of Science and Technology in Shenzhen Shenzhen 518057China Key Laboratory of CNC Equipment Reliability Ministry of EducationSchool of Mechanical and Aerospace EngineeringJilin UniversityChangchun 130022China Department of Materials Science&Engineering Institute of Space TechnologyIslamabad 44000Pakistan

This study comprehensively investigates the effects of annealing on the structural,electrochemical properties and passivation film characteristics of Ti_(20)Zr_(20)Hf_(20)Be_(20)Ni_(20)(at%)high-entropy metallic glass(HE-MG).Subjected to various annealing temperatures,the samples were analyzed in a 3.5 wt%NaCl solution to evaluate changes in their microstructure and assess their corrosion *** reveal that the HE-MG undergoes multistage crystallization,displaying an amorphous matrix integrated with face centered cubic(FCC)and Ni_(7)Zr_(2)phases between 420 and 500℃,indicating robust thermal *** assessments identify a critical temperature threshold:Below the glass transition temperature(Tg),the HE-MG maintains excellent corrosion resistance,promoting stable passivation *** Tg,enhanced long-range atomic rearrangement during relaxation increases passivation layer defects and significantly diminishes corrosion resistance.X-ray photoelectron spectroscopy(XPS)analyses show that the primary components of the passivation layer are TiO_(2),ZrO_(2),HfO_(2)and *** annealing temperatures lead to enhanced Be and Ni content and decreased Ti,Zr and ***,high mixing entropy and significant atomic size mismatch suppress long-range atomic rearrangement and *** crystallization begins above Tg by_(20)℃,with crystalline phases evenly distributed within the matrix without drastically affecting corrosion *** investigation highlights the impact of thermal treatment on the properties of HE-MG,contributing valuable insights into optimizing their performance and applications.

关键词： High-entropy metallic glass Annealing Corrosion resistance Glass transition temperature Cluster

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