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Topological and superconducting properties of monolayered CoN and CoP:A first-principles comparative study

Science China(Physics,Mechanics & Astronomy) 2024年第5期67卷 98-108页

作者： Jiaqing Gao Zhenyu Zhang ping cui International Center for Quantum Design of Functional Materials(ICQD) Hefei National Research Center for Physical Sciences at Microscale(HFNL)University of Science and Technology of ChinaHefei 230026China Hefei National Laboratory University of Science and Technology of ChinaHefei 230088China

Two-dimensional systems that simultaneously harbor superconductivity and nontrivial band topology may serve as appealing platforms for realizing topological superconductivity with promising applications in fault-tolerant quantum ***,based on first-principles calculations,we show that monolayered Co N and Co P with the isovalent Fe Se-like structure are stable in freestanding form,even though their known bulk phases have no resemblance to *** two systems are further revealed to display intrinsic band inversions due to crystal field splitting,and such orderings are preserved with the inclusion of spin-orbit coupling(SOC),which otherwise is able to open a curved band gap,yielding a non-zero Z2 topological invariant in each *** a mechanism of topologicalization is distinctly contrasted with that identified recently for the closely related monolayers of CoX(X=As,Sb,Bi),where the SOC plays an indispensable role in causing a nontrivial band ***,we demonstrate that,by applying equi-biaxial tensile strain,the electron-phonon coupling strength in monolayered CoN can be significantly enhanced,yielding a superconducting transition temperature(Tc)up to 7-12 K for the Coulomb pseudopotential ofμ*=0.2-0.1,while the CoP monolayer shows very low Tc even under pronounced *** different superconducting behaviors can be attributed to different variations in lattice softening and electronic density of states around the Fermi level upon *** central findings enrich the understanding of different mechanisms of band inversions and topologicalization and offer platforms for achieving the coexistence of superconductivity and nontrivial band topology based on two-dimensional systems.

关键词： topological yielding otherwise

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Investigating effect of coke porosity on blast furnace performance based on multi-physical fields

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Journal of Iron and Steel Research(International) 2024年第2期31卷 357-367页

作者： Ji Chen Zhao Lei Zhe Yao Li Wang Qiang Ling ping cui Anhui Province Key Laboratory of Coal Clean Conversion and High Valued Utilization School of Chemistry and Chemical EngineeringAnhui University of TechnologyMa’anshan243002AnhuiChina Shanxi Academy of Printing Technology Research Institute Co. Ltd.Xi’an710077ShaanxiChina

Reducing coke use is an effective measure to reduce carbon emission and energy consumption in the blast furnace(BF)***,BF is a high-temperature moving bed reactor,where complex physical transformations coupled with complicated reactions *** makes it challenging to investigate the factors determining BF performance with the conventional method.A multi-physical field coupling mathematical model of BF was thus developed to describe its mass and heat transfer as well as its intrinsic ***,the proposed model was validated with the production *** coupling conditions,influences of dominating reactions on BF performance(temperature distribution,gas distribution,iron formation reaction,and direct reduction degree)were *** results indicated that coke combustion,indirect reduction,and direct reduction of iron ore mainly took place nearby the shaft tuyere,cohesive zone,and dripping zone,***,the rate of coke solution loss reaction was increased with the rising coke porosity in the cohesive *** the effect of coke porosity on the efficiency and stability of BF,the coke porosity of 0.42 was regarded as a reasonable value.

关键词： Blast furnace Mathematical model Multi-physical field Simulation Coke porosity

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Single-Ni-atoms on nitrogenated humic acid based porous carbon for CO_(2) electroreduction

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Frontiers of Chemical Science and Engineering 2024年第5期18卷 37-47页

作者： Delei Yu Ying Chen Yao Chen Xiangchun Liu Xianwen Wei ping cui Anhui Key Laboratory of Coal Clean Conversion&Utilization School of Chemistry and Chemical EngineeringAnhui University of TechnologyMa’anshan 243002Chin

tWe proposed a facile synthesis of single-Ni-atom catalysts on low-cost porous carbon using a calcina-tion method at the temperatures of 850-1000°C,which were used for CO_(2) electrochemical reduction to *** porous carbon was prepared by carbonizing cheap and abundant humic *** structural characterizations of the as-synthesized catalysts and their electrocatalytic performances were *** results showed that the single-Ni-atom catalyst activated at 950°C showed an optimum catalytic performance,and it reached a CO Faradaic efficiency of 91.9% with a CO partial current density of 6.9 mAcm^(-2)at-0.9 V *** hydrogen electrode(RHE).Additionally,the CO Faradaic efficiency and current density of the optimum catalyst changed slightly after 8 h of continuous operation,suggesting that it possessed an excellent *** structure-activity relations indicate that the variation in the CO_(2) electroche-mical reduction performance for the as-synthesized catalysts is ascribed to the combined effects of the increase in the content of pyrrolic N,the evaporation of Ni and N,the decrease in pore volume,and the change in graphitization degree.

关键词： CO_(2) electroreduction single-Ni-atom cataly-sts humic acid based porous carbon

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Serum proteins differentially expressed in gestational diabetes mellitus assessed using isobaric tag for relative and absolute quantitation proteomics

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World Journal of Clinical Cases 2024年第8期12卷 1395-1405页

作者： Wei-Li Cao cui-ping Yu Ling-Li Zhang Department of Women’s Health Care Maternal and Child Health Hospital of Hubei ProvinceWuhan 430070Hubei ProvinceChina Obstetrical Department The First People’s Hospital of Jiangxia District Wuhan City(Union Jiangnan Hospital Huazhong University of Science and Technology)Wuhan 430200Hubei ProvinceC Department of Gynecology Maternal and Child Health Hospital of Hubei ProvinceWuhan 430070Hubei ProvinceChina

BACKGROUND As a well-known fact to the public,gestational diabetes mellitus(GDM)could bring serious risks for both pregnant women and *** this important investigation into the linkage between GDM patients and their altered expression in the serum,proteomics techniques were deployed to detect the differentially expressed proteins(DEPs)of in the serum of GDM patients to further explore its pathogenesis,and find out possible biomarkers to forecast GDM *** Subjects were divided into GDM and normal control groups according to the IADPSG diagnostic *** samples were randomly selected from four cases in each group at 24-28 wk of gestation,and the blood samples were identified by applying iTRAQ technology combined with liquid chromatography-tandem mass *** proteins and signaling pathways associated with GDM were identified by bioinformatics analysis,and the expression of key proteins in serum from 12 wk to 16 wk of gestation was further verified using enzyme-linked immunosorbent assay (ELISA).RESULTS Forty-seven proteins were significantly differentially expressed by analyzing the serum samples between the GDMgravidas as well as the healthy ones. Among them, 31 proteins were found to be upregulated notably and the rest16 proteins were downregulated remarkably. Bioinformatic data report revealed abnormal expression of proteinsassociated with lipid metabolism, coagulation cascade activation, complement system and inflammatory responsein the GDM group. ELISA results showed that the contents of RBP4, as well as ANGPTL8, increased in the serumof GDM gravidas compared with the healthy ones, and this change was found to initiate from 12 wk to 16 wk *** GDM symptoms may involve abnormalities in lipid metabolism, coagulation cascade activation, complementsystem and inflammatory response. RBP4 and ANGPTL8 are expected to be early predictors of GDM.

关键词： Gestational diabetes mellitus Liquid chromatography-tandem mass spectrometry Isobaric tag for relative and absolute quantitation Proteomics Biomarker

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Advances in ground heat exchangers for space heating and cooling:Review and perspectives

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Energy and Built Environment 2024年第2期5卷 255-269页

作者： ping cui Weibo Yang Wenke Zhang Ke Zhu Jeffrey D.Spitler Mingzhi Yu School of Thermal Engineering Shandong Jianzhu UniversityJinanShandong 250101China College of Electrical Energy and Power EngineeringYangzhou UniversityYangzhouJiangsu 225127China Department of Mechanical Engineering Oklahoma State UniversityStillwaterOKUSA

As a renewable energy source,geothermal energy has been widely used to provide space heating and cooling for *** thermal performance of ground heat exchanger(GHE)is significant for the operating efficiency of the ground source heat pump(GSHP)*** paper presents a comprehensive review of developments and advances of three kinds of GHE,including vertical borehole GHE(VBGHE),Pile GHE(PGHE),and deep borehole GHE(DBGHE)which are currently popular in larger GSHP ***,analytical models proposed to ana-lyze heat transfer process of VBGHE with different geological conditions are summarized,such as homogenous or heterogeneous ground,with or without groundwater *** and short-time step models and measures to improve GHE thermal performance are also ***,a summary of research advances in PGHE is provided,which includes the heat transfer models of PGHE,the effects of geometric structure,oper-ation modes,pile spacing,use of phase change material(PCM),thermal properties of PCM,thermo-mechanical behavior and/or thermal performance of *** effects of groundwater flow direction and velocity on PGHE are also summarized in ***,models of three kinds of DBGHEs,i.e.,deep coaxial GHE(DCGHE),deep U-bend GHE(DUGHE)and super-long gravity heat pipe(SLGHP),are *** physical bases of the dif-ferent analytical models are elaborated and also their advantages and disadvantages are *** in numerical modelling and improving numerical model calculation speed of DCBHE,DCBHE array,and DUBHE are *** review provides a meaningful reference for the further study of GHEs.

关键词： Vertical borehole ground heat exchanger Pile ground heat exchanger Deep borehole ground heat exchanger Modelling

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Visible light promoted aerobic selective photo-oxidation of cyclohexene on LaCo_(x)Cu_(1−x)O_(3)catalyst

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Nano Research 2024年第8期17卷 6940-6950页

作者： Xu Guo Liru Song Wenyu Wang Fengfeng Li Minh Ngoc Ha Jun Tang Qiang Ling ping cui Qingping Ke College of Chemistry and Chemical Engineering Anhui University of TechnologyMaanshan 243000China VNU Key Laboratory of Advanced Material for Green Growth Faculty of ChemistryUniversity of ScienceVietnam National UniversityHanoi 100000Vietnam

Heterogeneously catalyzed liquid oxidation of olefins with O_(2)provides an alternative way for synthesizing high-value added ***,we report a straightforward urea-redox and sol-gel process for synthesizing LaCo_(x)Cu_(1−x)O_(3)for aerobic photooxidation of *** research highlights a marked increase in the proportions of Co^(2+)and Cu+species in a low chemical state,as well as enhanced visible light absorption through this *** investigations suggest that the catalytic process,particularly with LaCo_(0.7)Cu_(0.3)O_(3),involves a radical pathway mediated by reactive oxygen *** presence of Cu+/Co^(2+)species and surface oxygen vacancies is proposed to boost O_(2)adsorption and activation on the catalyst,facilitating the formation of ***,Cu^(2+)/Co^(3+)species are thought to aid in generating cyclohexenederived radical *** efficient aerobic oxidation of cyclohexene on LaCo_(0.7)Cu_(0.3)O_(3)catalyst relies on the formation of reactive oxygen species and carbon radicals,facilitated by its strong visible light *** achieves a cyclohexene conversion of 89.4%and selectivity to cyclohex-2-ene-1-one of 72.2%,along with stable recyclability after six *** creation of nano-structured LaCo_(x)Cu_(1−x)O_(3)through the urea-redox and sol-gel process offers a promising avenue for the development of highly efficient catalysts for the aerobic photo-oxidation of cyclohexene to cyclohex-2-ene-1-one in the future.

关键词： perovskite oxide photocatalysis oxidation cyclohexene LaCoCuO_(3) cyclohex-2-ene-1-one

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Synergy of inside doped metals-Outside coated graphene to enhance hydrogen storage in magnesium-based alloys

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JOURNAL OF MAGNESIUM AND ALLOYS 2024年第6期12卷 2462-2471页

作者： Zhang, Kun Chang, Yu Lei, Jingjing Chen, Jing Si, Tingzhi Ding, Xiaoli cui, ping Li, Hai-Wen Zhang, Qingan Li, Yongtao Anhui Univ Technol Sch Mat Sci & Engn Maanshan 243002 Anhui Peoples R China Anhui Univ Technol Key Lab Green Fabricat & Surface Technol Adv Met M Minist Educ Maanshan 243002 Peoples R China Tsinghua Univ Inst Nucl & New Energy Technol Beijing 100084 Peoples R China Hefei Gen Machinery Res Inst Hefei 230031 Anhui Peoples R China

Grain growth of magnesium (Mg) and its hydride is one of the main reasons for kinetic and capacity degradation during the hydrogen absorption and desorption cycles. To solve this problem, herein we propose a novel method involving synergistic effect of inside embedded metals and outside coated graphene to limit the growth of Mg and its hydride grains. The graphene coated Mg-Y-Al alloys were selected as a model system for demonstrating this positive effect where the Mg91 Y3 Al6 alloy was first prepared by rapidly solidified method and then high-pressure milled with 5 wt% graphene upon 5 MPa hydrogen gas for obtaining in-situ formed YAl2 and YH3 embedded in the MgH2 matrix with graphene shell (denoted as MgH2 -Y-Al@GR). In comparison to pure MgH2 , the obtained MgH2 -Y-Al@GR composites deliver much better kinetics and more stable cyclic performance. For instance, the MgH2 -Y-Al@GR can release about 6.1 wt% H2 within 30 min at 300 degrees C but pure MgH2 only desorbs -1.5 wt% H2 . The activation energy for desorption of MgH2 -Y-Al@GR samples is calculated to be 75.3 +/- 9.1 kJ/mol that is much lower than approximately 160 kJ/mol for pure MgH2 . Moreover, its capacity retention is promoted from -57% of pure MgH2 to -84% after 50th cycles without obvious particle agglomeration and grain growth. The synergistic effect of outside graphene coating with inside embedded metals which could provide a huge number of active sites for catalysis as well as inhibit the grain growth of Mg and its hydride is believed to be responsible for these. (c) 2024 Chongqing University. Publishing services provided by Elsevier B.V. on behalf of KeAi Communications Co. Ltd. This is an open access article under the CC BY-NC-ND license ( http://***/licenses/by-nc-nd/4.0/ ) Peer review under responsibility of Chongqing University

关键词： Energy Hydrogen storage Mg alloys Synergy effect. SORPTION PERFORMANCE HYDRIDE SYSTEM MGH2

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Constructing highly safe and long-life calcium ion batteries based on hydratedvanadium oxide cathodes featuring a pillar structure

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Rare Metals 2024年第6期43卷 2597-2612页

作者： Chun-Fang Wang Shi-Wei Zhang Lan Huang Yuan-Min Zhu Feng Liu Jian-Chuan Wang Li-Ming Tan Chun-Yi Zhi cui-ping Han Powder Metallurgy Research Institute Central South UniversityChangsha410083China Songshan Lake Materials Laboratory Dongguan 523808China Research Institute of Interdisciplinary Science and School of Materials Science and Engineering Dongguan University of TechnologyDongguan 523808China Department of Materials Science and Engineering City University of Hong KongHong Kong 999077China Faculty of Materials Science and Energy Engineering/Institute of Technology for Carbon Neutrality Shenzhen Institute of Advanced TechnologyChinese Academy of SciencesShenzhen 518055China

Calcium-ion batteries(CIBs)have generated intense interest due to the growing demand for safer,cheaper,and large-scale energy storage ***,their development is still in its infancy,owing to the lack of suitable cathodes for sustaining reversiblc Ca^(2+)intercalation/***,layered H_(2)V_(3)O_(8)(HVO)with Zn^(2+)pre-insertion(ZHVO)is reported as a high-rate and highly durable cathode material for *** existence of Zn^(2+)and H_(2)O pillars could expand the interlayer spacing up to 1.8 nm,which is favorable for the diffusion of bulky Ca^(2+).The formation of Zn-O bonds facilitates electron transfer and enhances electrical ***,the ZHVO cathode achieves superior capacity performance(213.9 mAh·g^(-1)at 0.2 A·g^(-1))and long lifespan(78.3%for 1,000 cycles at 5 A·g^(-1))compared to pristine *** functional theory(DFT)calculations revealed that Zn^(2+)moved during Ca^(2+)intercalation,thereby reducing the diffusion energy barrier and facilitating Ca^(2+)***,a safe aqueous calcium ion cell was successfully assembled.

关键词： Multivalent batteries Calcium-ion batteries Layered structure Vanadium oxide Cathode materials

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Interplay between the atomic structures and superconductivity of two-monolayer Pb films

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Science China(Physics,Mechanics & Astronomy) 2024年第1期67卷 90-98页

作者： Kun Xie Ze Huang Pengju Li Yumin Xia Desheng Cai Yitong Gu Yuzhou Liu Fangliang Cai Runxiao Zhang Haohao Shi ping cui Shengyong Qin International Center for Quantum Design of Functional Materials(ICQD) University of Science and Technology of ChinaHefei 230026China CAS Key Laboratory of Strongly Coupled Quantum Matter Physics Department of PhysicsUniversity of Science and Technology of ChinaHefei 230026China Hefei National Laboratory University of Science and Technology of ChinaHefei 230088China

Superconductors with reduced dimensionality have been widely explored for their exotic superconducting ***,at the two-dimensional limit,two-monolayer Pb films with two types of structures provide an ideal platform to unveil the underlying superconducting mechanism[Science 324,1314(2009)].Here,by combining scanning tunneling microscopy(STM)with the first-principle calculations,we successfully identify that these two types have different atomic lattice structures with varying stacking phases,which further enables us to calculate the phonon spectrum and electron phonon coupling strength of each *** theoretical calculations are in good agreement with tunneling spectroscopy measurements of the superconducting transition temperatures(T_(c)),which established a correlation between atomic structures and ***,it was observed that the higher T_(c)of these two types also possess higher out-of-plane upper critical magnetic fields(Hc2).These findings will provide important new insights into two-dimensional superconductivity at the atomic level.

关键词： 2 ML Pb films superconductivity atomic structure scanning tunneling microscopy first-principle calculations

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Analysis of Solutions of the Holling-Tanner Model

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Acta Mathematicae Applicatae Sinica 2024年

作者： Ying-chao HAO Kun-lun HUANG Xin-tian JIA cui-ping LI School of Mathematical Sciences Beihang University

In this paper we consider a kind of predator-prey model named Holling-Tanner model. Firstly, we prove all solutions of this model to be bounded from above. Secondly, we find a positive invariant set of the model, and prove the existence of stable limit cycle in this invariant set by Poincar′e-Bendixson theorem for the unstable equilibrium. Thirdly, we get the region of parameters in which the corresponding stable equilibrium are also globally asymptotically stable. Lastly, we give a bifurcation diagram and illustration with two limit cycles for special parameters through numerical simulation. By our knowledge, the invariant set constructed in this paper is better than that in the book written by Murray.

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