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First-principles study on the electronic structure of Pb_(10−x)Cu_(x)(PO_(4))_(6)O(x=0,1)

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Journal of Materials Science & Technology 2024年第4期171卷 66-70页

作者： Junwen lai Jiangxu Li Peitao Liu Yan Sun Xing-qiu Chen Shenyang National Laboratory for Materials Science Institute of Metal ResearchChinese Academy of SciencesShenyang 110016China School of Materials Science and Engineering University of Science and Technology of ChinaShenyang 110016China

Recently,Lee et *** the experimental discovery of room-temperature ambient-pressure super-conductivity in a Cu-doped lead-apatite(LK-99)(arXiv:2307.12008,arXiv:2307.12037).Remarkably,the claimed superconductivity can persist up to 400 K at ambient *** the experimental im-plication,the electronic structure of LK-99 has not yet been ***,we investigate the electronic structures of LK-99 and its parent compound using first-principles calculations,aiming to elucidate the doping effects of *** results reveal that the parent compound Pb_(10)(PO_(4))_(6)O is an insulator,while Cu doping induces an insulator-metal transition and thus volume *** band structures of LK-99 around the Fermi level are featured by a half-filled flat band and a fully-occupied flat *** two very flat bands arise from both the 2p orbitals of 1/4-occupied O atoms and the hybridization of the 3d orbitals of Cu with the 2p orbitals of its nearest-neighboring O ***,we observe four van Hove singularities on these two flat ***,we show that the flat band structures can be tuned by including electronic correlation effects or by doping different *** find that among the considered doping elements(Ni,Cu,Zn,Ag,and Au),both Ni and Zn doping result in the gap opening,whereas Au exhibits doping effects more similar to Cu than *** work establishes a foundation for fu-ture studies to investigate the role of unique electronic structures of LK-99 in its claimed superconducting properties.

关键词： First-principles calculations density functional theory Electronic structur e Superconductivity Flat bands Strongly correlated electrons

Pharmacological Effects of Botanical Drugs on Myocardial Metabolism in Chronic Heart Failure

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Chinese Journal of Integrative Medicine 2024年第5期30卷 458-467页

作者： HU Yu-xuan qiu Sheng-lei SHANG Ju-ju WANG Zi lai Xiao-lei Beijing Hospital of Traditional Chinese Medicine Capital Medical UniversityBeijing 100010China

Although there have been significant advances in the treatment of heart failure in recent years,chronic heart failure remains a leading cause of cardiovascular disease-related *** studies have found that targeted cardiac metabolic remodeling has good potential for the treatment of heart ***,most of the drugs that increase cardiac energy are still in the theoretical or testing *** research has found that botanical drugs not only increase myocardial energy metabolism through multiple targets but also have the potential to restore the balance of myocardial substrate *** this review,we summarized the mechanisms by which botanical drugs(the active ingredients/formulas/Chinese patent medicines)improve substrate utilization and promote myocardial energy metabolism by activating AMP-activated protein kinase(AMPK),peroxisome proliferator-activated receptors(PPARs)and other related *** the same time,some potential protective effects of botanical drugs on myocardium,such as alleviating oxidative stress and dysbiosis signaling,caused by metabolic disorders,were briefly discussed.

关键词： botanical drugs chronic heart failure myocardial metabolism pharmacological effects review

Metallurgy and Solidification Microstructure Control of Fusion-Based Additive Manufacturing Fabricated Metallic Alloys:A Review

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Acta Metallurgica Sinica(English Letters) 2024年第1期37卷 29-53页

作者： Qiang Li Xing-Ran Li Bai-Xin Dong Xiao-Long Zhang Shi-Li Shu Feng qiu lai-Chang Zhang Zhi-Hui Zhang Key Laboratory of Bionic Engineering(Ministry of Education) and College of Bionic Science and EngineeringJilin UniversityChangchun130022China Institute of Structured and Architected Materials Liaoning Academy of MaterialsShenyang110167China Key Laboratory of Automobile Materials Ministry of Education and Department of Materials Science and EngineeringJilin UniversityChangchun130025China School of Mechanical and Aerospace Engineering Jilin UniversityChangchun130025China School of Engineering Edith Cowan University270 Joondalup DriveJoondalupPerthWA6027Australia

The metal-based additive manufacturing(AM),also referred to as metal 3D printing,has drawn particular interest because it enables direct creation,aided by computationally-directed path design,of intricate components with site-specific compositions and geometrical requirements as well as low buy-to-fly *** the last two decades,the objective of this revolutionary technology has been shifting from only“rapid prototyping”to advanced manufacturing of special high-end products or devices,which,in many aspects,outperform conventional manufacturing *** fusion-based AM,significant progress has been achieved in understanding the processing window of macroscopic scales,non-equilibrium metallurgy of mesoscale scales,and grain evolution of microscopic *** the versatile capacity of AM facilitates new avenues for discovering advanced materials and structures,their potential has still not been fully *** the unique non-equilibrium solidification during the AM process,coarse columnar grains with strong textures are usually developed along the build direction,which downgrades the mechanical *** push the limits of this digital manufacturing,this review attempts to provide in-depth and comprehensive overviews of the recent progress in understanding the evolution and control of the as-built microstructure that has been made recently and the challenges encountered during the AM process.

关键词： Additive manufacturing Temperature field Microstructure control Nanoparticles Functionally graded materials

Review on regulation of MnS in non-qquenched and tempered steel

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Journal of Iron and Steel Research(International) 2024年第4期31卷 779-789页

作者： Guo-xing qiu Qing Du Feng Lu de-jun Miao Yong-kun Yang Xiao-ming Li School of Metallurgical Engineering Xi'an University of Architecture and TechnologyXi'an 710055ShaanxiChina laigang Technique Center Shandong Iron and Steel Group Co.Ltd.Jinan 271104ShandongChina

An overview of the current research status and control methods of MnS in non-quenched and tempered steel was *** a low-melting plastic inclusion,the morphology and distribution of MnS were influenced by various production ***,control of MnS is a systematic problem that must be integrated into the entire production *** on the production process,the factors affecting the morphology and distribution of MnS in steel were *** effects of oxygen activity,manganese,sulfur,and some alloys on MnS inclusion precipitation were summarized,mainly including MnS modification treatment and oxygen-sulfide composite precipitation *** is believed that MnS precipitates during the solidification process of steel,and controlling the solidification cooling rate could effectively regulate the size and morphology of MnS,avoiding the precipitation of ***,by changing the deformation rate,deformation amount,deformation temperature during the hot deformation process,and heating time and temperature during heat treatment,the distribution and morphology of MnS could be *** the fine control of the above process parameters,the number of II-MnS in steel could be effectively reduced,and their morphology could be improved,thereby enhancing the performance of non-quenched and tempered steel and promoting its wider ***,applying laboratory research results to industrial production is an important direction for future research efforts in this field.

关键词： MnS Non-quenched and tempered steel Control technology Process parameter Morphology Distribution

Graphite recycling from spent lithium-ion batteries for fabrication of high-performance aluminum-ion batteries

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Rare Metals 2024年第5期43卷 2161-2171页

作者： Li Wang Chao Wang Jing-Yi Zhang Jia-Cheng qiu Xu-Wang Fu Zi-Rui Zhang Jian-Min Feng Lei Dong Cong-lai Long de-Jun Li Xiao-Wei Wang Bao Zhang Jia-Feng Zhang Rui-Rui Zhao College of Physics and Materials Science Tianjin Normal UniversityTianjin300387China National Engineering Laboratory for High Efficiency Recovery of Refractory Nonferrous Metals School of Metallurgy and EnvironmentCentral South UniversityChangsha 410083China School of Chemistry South China Normal UniversityGuangzhou510631China

Efficient extraction of electrode components from recycled lithium-ion batteries(LIBs)and their highvalue applications are critical for the sustainable and ecofriendly utilization of *** work demonstrates a novel approach to stripping graphite anodes embedded with Li^(+)from spent LIBs directly in anhydrous ethanol which can be utilized as high efficiency cathodes for aluminum-ion batteries(AIBs).Recycled graphite(RG)with foam morphology and crystal structure defects was obtained under the action of ultrasonic peeling and gas generation reaction between residual lithium-graphite interlayer compound and *** inherent open structure of RG facilitates the intercalation/deintercalation of chloralum anions(AlCl_(4)^(-))and enhances its AIB cathode *** electrochemical measurements revea that the RG cathode has a specific capacity of 123 m Ah·g^(-1)at a current of 5 A·g^(-1),which is 1.55 times higher than tha of unprocessed natural graphite and 1.25 times higher than that of commercial artificial ***,the RG cathode demonstrated remarkable stability,retaining its high particular capacity of 138.15 mAh·g^(-1)even through2000 times at 10 A·g^(-1)in a low-cost electrolyte consisting of an ionic liquid/urea/AlCl_(3)*** work offers a novel approach to reusing of graphite anode waste materials from LIBs.

关键词： Aluminum ion batteries Lithium-ion batteries Graphite anode Recycling

Challenges and prospects for room temperature solid-state sodiumsulfur batteries

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Nano Research 2024年第3期17卷 1402-1426页

作者： Yashuang qiu Jing Xu Research Center of Grid Energy Storage and Battery Application School of Electrical and Information EngineeringZhengzhou UniversityZhengzhou 450001China

Room temperature sodium-sulfur(Na-S)batteries,known for their high energy density and low cost,are one of the most promising next-generation energy storage ***,the polysulfide shuttling and uncontrollable Na dendrite growth as well as safety issues caused by the use of organic liquid electrolytes in Na-S cells,have severely hindered their ***-state electrolytes instead of liquid electrolytes are considered to be the most direct and effective solution to solve the above ***,its practical application is still greatly challenged due to the poor interfacial compatibility between the all-solid-state electrolytes and the anode/cathode,ionic conductivity,and the shuttle effect caused by the presence of liquid phase in the quasi-solid-state *** paper presents a comprehensive review of solid-state Na-S batteries from the perspective of regulating interfacial compatibility and improving ionic conductivity as well as suppressing polysulfide *** to different components,solid-state electrolytes were divided into five categories:solid inorganic electrolytes,solid polymer electrolytes,polymer/inorganic solid hybrid electrolytes,gel polymer electrolytes,and liquid–solid inorganic hybrid ***,the prospect of developing high performance solid-state electrolytes to improve the cycling stability of room temperature Na-S cells is envisaged.

关键词： sodium-sulfur batteries solid-state electrolytes ionic conductivity polysulfide shuttling interfacial compatibility

In vivo imaging reveals a synchronized correlation among neurotransmitter dynamics during propofol and sevoflurane anesthesia

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Zoological Research 2024年第3期45卷 679-690页

作者： Gao-Lin qiu Li-Jun Peng Peng Wang Zhi-lai Yang Ji-Qian Zhang Hu Liu Xiao-Na Zhu Jin Rao Xue-Sheng Liu department of Anesthesiology First Affiliated Hospital of Anhui Medical UniversityHefeiAnhui 230022China School of Life Science and Technology ShanghaiTech UniversityShanghai 201210China

General anesthesia is widely applied in clinical ***,the precise mechanism of loss of consciousness induced by general anesthetics remains ***,we measured the dynamics of five neurotransmitters,includingγ-aminobutyric acid,glutamate,norepinephrine,acetylcholine,and dopamine,in the medial prefrontal cortex and primary visual cortex of C57BL/6 mice through in vivo fiber photometry and genetically encoded neurotransmitter sensors under anesthesia to reveal the mechanism of general anesthesia from a neurotransmitter *** revealed that the concentrations of γ-aminobutyric acid,glutamate,norepinephrine,and acetylcholine increased in the cortex during propofol-induced loss of *** levels did not change following the hypnotic dose of propofol but increased significantly following surgical doses of propofol ***,the concentrations of the five neurotransmitters generally decreased during sevoflurane-induced loss of ***,the neurotransmitter dynamic networks were not synchronized in the non-anesthesia groups but were highly synchronized in the anesthetic *** findings suggest that neurotransmitter dynamic network synchronization may cause anesthetic-induced loss of consciousness.

关键词： General anesthesia Loss of consciousness In vivo neurotransmitter imaging Medial prefrontal cortex Primary visual cortex

Hydrogen production from hydrolysis of NaBH_(4) solution over Co-Fe-B@g-C_(3)N_(4)/NF thin film catalyst

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Rare Metals 2024年第6期43卷 2648-2659页

作者： Yan Wang Jia-Xin Ma Jian Ren Di Zhang Feng-Yan Xu Ke Zhang Zhong-qiu Cao qiu-Ju Sun Guo-de Li Shi-Wei Wu Hong-Hui Chen College of Chemistry and Chemical Engineering Shenyang Normal UniversityShenyang 110034China Experimental Center Shenyang Normal UniversityShenyang 110034China Hunan Shande Energy Storage New Materials Research Institute Limited Company Changde 415000China

In this study,the double loaded Co-Fe-B@g-C_(3)N_(4)/NF(NF:Ni foam)thin film catalysts were prepared for the first time via chemical deposition method at room *** optimizing the reducing agent concentration to 0.9 mol·L^(-1),the as-obtained Co-Fe-B@g-C_(3)N_(4)/NF exhibited the twisted ribbon structure with more distinct three-dimensional hierarchy and the smaller particle size,showing the good catalytic property for the hydrolysis of NaBH_(4)*** H_(2)generation rate of Co-Fe-B@g-C_(3)N_(4)/NF and binary Co-B@g-C_(3)N_(4)/NF under visible light irradiation surpassed the value under natural *** apparent activation energy of Co-Fe-B@g-C_(3)N_(4)/NF(45.0 kJ·mol^(-1))under visible light irradiation was obviously reduced when compared with the natural condition(48.4 kJ·mol^(-1))and binary Co-B@g-C_(3)N_(4)/NF(60.6 kJ·mol^(-1))under visible light ***,the catalytic performance of the optimized Co-Fe-B@g-C_(3)N_(4)/NF thin film catalyst was superior to most of the reported non-noble metal and even noble metal ***,it illustrated that the catalytic H_(2)production performance of Co-Fe-B@g-C_(3)N_(4)/NF thin film was distinctly improved after the introduction of light and multicomponent recombination.

关键词： Sodium borohydride Co-Fe-B@g-C_(3)N_(4)/NF catalyst Chemical deposition Hydrogen production

Enhanced service stability and thermoelectric performance in Cu_(2)−δSebased composites

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Science China Materials 2024年第7期67卷 2369-2370页

作者： Pengfei qiu Xun Shi State Key Laboratory of High Performance Ceramics and Superfine Microstructure Shanghai Institute of CeramicsChinese Academy of SciencesShanghai 200050China

Thermoelectric(TE)materials can directly convert the industrial waste heat into useful electricity based on the Seebeck effect,providing a promising way to tackle the environmental pollution and global energy crisis[1].In the past several decades,many new high-performance TE materials have been discovered to enrich the TE *** them,Cu_(2)−δSe-based TE materials,which are in line with the“phonon-liquid electron-crystal”concept,have sparked widespread interest due to the high TE figure-of-merit(ZT)and the combination of elements that are nontoxic and earth-abundant[2].In 2012,Liu et al.[3]reported a ZT of 1.5 at 1000 K in the stoichiometric Cu_(2)*** alloying S at the Se-site,the ZT was enhanced to around 2.0 at 1000 K[4].Via incorporating carbon nanotubes,the ZT was further enhanced to 2.4 at 1000 K[5].Moreover,Yang et al.[6]and Zhou et al.[7]reported that the ZT of Cu_(2)Se/BiCuSeO composites can reach 2.7–2.8 around 1000 K.

关键词： composites BiCuSeO performance