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Single transition-metal atoms anchored on a novel Diracdispersive π-π conjugated holey graphitic carbon nitride substrate:computational screening toward efficient bifunctional OER/ORR electrocatalysts

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Rare Metals 2024年第8期43卷 3819-3832页

作者： Chun-Yao Fang xi-Hang Zhang Qiang Zhang Di Liu xiao-Meng Cui jing-Cheng Xu Cheng-long Shi Meng-Yu Yang College of Science University of Shanghai for Science and Technology School of Materials and Chemistry University of Shanghai for Science and Technology

Nonprecious-metal-group single-metal-atom catalysts with bifunctional catalytic capabilities toward the oxygen evolution reaction（OER） and oxygen reduction reaction（ORR） are highly sought after in energy-conversion and storage ***,producing renewable and sustainable energy sources remains ***,single-transition metal atoms anchored on π-πconjugated two-dimensional（2D） graphitic carbon nitride substrates form π-d conjugated conductive channels that enhance the overall electrocatalytic ***,firstprinciples calculations were carried out to design and demonstrate a novel macropore graphitic carbon nitride(gC10N3) as a promising 2D electrocatalyst substrate to support single-transition metal（TM,from Sc to Au）.The "donation-acceptance" charge interaction in the TM-N2moiety effectively balances the adsorption strength of oxygenated intermediates in Ni@g-C10N3and Rh@gC10N3,making them effective bifunctional OER/ORR electrocatalysts with IrO2/Pt-beyond overpotentials being as low as 0.39/0.38 V and 0.54/0.44 V,***,they possess high stability and conductivity and are less susceptible to oxidation and corrosion under working *** guarantees high activity under ambient ***,the origin of the OER/ORR activity of TM@g-C10N3is explained using multilevel descriptors:intrinsic(p,Bader charge,integral crystal orbital Hamilton population（ICOHP）,bond length,and d-band center（εd）.In particular,for optimal Ni@g-C10N3,the clear hybridization between the Ni-d orbital and surface O-p orbital causes the paired electrons to occupy the bonding *** enables OH*to be adsorbed on the Ni@g-C10N3,thereby achieving the highest catalytic performance.

关键词： First-principles calculation Oxygen evolution reaction Oxygen reduction reaction Bifunctional electrocatalysts Single-metal-atom electrocatalysts

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Liquid metal biomaterials: translational medicines,challenges and perspectives

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National Science Review 2024年第2期11卷 264-284页

作者： Hanchi Xu Jincheng Lu Yikuang xi Xuelin Wang jing Liu Department of Biomedical Engineering School of Medicine Tsinghua University Beijing Tsinghua Changgung Hospital School of Clinical Medicine Tsinghua University Shanghai World Foreign Language Academy Beijing Advanced Innovation Center for Biomedical Engineering School of Engineering MedicineBeihang University Beijing Key Lab of Cryo-Biomedical Engineering and Key Lab of Cryogenics Technical Institute of Physics and Chemistry Chinese Academy of Sciences

Until now, significant healthcare challenges and growing urgent clinical requirements remain incompletely addressed by presently available biomedical materials. This is due to their inadequate mechanical compatibility, suboptimal physical and chemical properties, susceptibility to immune rejection, and concerns about long-term biological safety. As an alternative, liquid metal(LM) opens up a promising class of biomaterials with unique advantages like biocompatibility, flexibility, excellent electrical conductivity,and ease of functionalization. However, despite the unique advantages and successful explorations of LM in biomedical fields, widespread clinical translations and applications of LM-based medical products remain limited. This article summarizes the current status and future prospects of LM biomaterials, interprets their applications in healthcare, medical imaging, bone repair, nerve interface, and tumor therapy, *** to translate LM materials into medicine and obstacles encountered in practices are *** that, we outline a blueprint for LM clinics, emphasizing their potential in making new-generation artificial organs. Last, the core challenges of LM biomaterials in clinical translation, including bio-safety,material stability, and ethical concerns are also discussed. Overall, the current progress, translational medicine bottlenecks, and perspectives of LM biomaterials signify their immense potential to drive future medical breakthroughs and thus open up novel avenues for upcoming clinical practices.

关键词： liquid metal biomaterials translational medicine clinical device healthcare therapeutics

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An Accelerated Proximal Gradient Algorithm for Hankel TensorCompletion

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Journal of the Operations Research Society of China 2024年第2期12卷 461-477页

作者： Chuan-long Wang xiong-Wei Guo xi-Hong Yan Key Laboratory of Engineering and Computational Science Shanxi Provincial Department of EducationJinzhong 030619ShanxiChina Department of Mathematics Taiyuan Normal UniversityJinzhong 030619ShanxiChina

In this paper,an accelerated proximal gradient algorithm is proposed for Hankel tensor completion *** our method,the iterative completion tensors generated by the new algorithm keep Hankel structure based on projection on the Hankel tensor ***,due to the special properties of Hankel structure,using the fast singular value thresholding operator of the mode-s unfolding of a Hankel tensor can decrease the computational ***,the convergence of the new algorithm is discussed under some reasonable ***,the numerical experiments show the effectiveness of the proposed algorithm.

关键词： Hankel tensor:Tensor completion Accelerated proximal gradient algorithm

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Effects of hot deformation and in-situ ZrB2 particle on microstructure and tensile performance of AA7085 composite sheets

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Journal of Iron and Steel Research(International) 2024年第7期31卷 1778-1791页

作者： Jiang-jing Wu xi-zhou Kai Chuang Guan Yu-tao Zhao School of Material Science and Engineering Jiangsu UniversityZhenjiang 212013JiangsuChina

To provide a new idea to reduce anisotropy for sheets in the thickness direction by microstructure modification and,mean-while,maintain or even enhance tensile performance,the in-situ ZrB2 particle/AA7085 composite sheets with thicknesses of 1,2,3,and 6 mm were *** as-cast grain size was significantly refined by the heterogeneous nucleus of the ZrB2 *** microstructure results show that severe hot deformation converts as-cast disordered microstructure into a sequential microstructure by crushing the remanent phases and matrix into a fiber *** the solid solution and aging heat treatment,the composite sheets exhibit largely recrystallized grains compared with partially recrystallized grains in the matrix sheets,and weak or even free texture exists in the *** grain size in the composite sheets decreases with the increase in thickness *** the thickness range of 1-3 mm,the composite sheets maintain a similar tensile per-formance as that in matrix sheets,while the strength and ductility in the 6-mm-thick composite sheet are improved.

关键词： Composite sheet Grain structure Texture Dislocation Strengthening

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Petrogenesis and tectonic implications of the Silurian adakitic granitoids in the eastern segment of the Qilian Orogenic Belt,Northwest China

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Acta Geochimica 2024年第1期43卷 72-86页

作者： Jiao-long Zhao xiao-Jun Huang Pei-Qing Hu Zhen-xi Yang Ying Fan Er-Teng Wang Fu-Bo Yang jing-Yu Zhang School of Earth Sciences Key Laboratory of Mineral Resources in Western China(Gansu Province)Lanzhou UniversityLanzhou 730000China Nuclear Industry 247 Brigade Tianjin North China Geological Survey BureauTianjin 301800China Fourth Institute of Geological and Mineral Exploration of Gansu Provincial Bureau of Geology and Mineral Resources Jiuquan 735000China

Geodynamic mechanism responsible for the generation of Silurian granitoids and the tectonic evolution of the Qilian orogenic belt remains controversial. In this study, we report the results of zircon U–Pb age, and systematic whole-rock geochemical data for the Haoquangou and Liujiaxia granitoids within the North Qilian orogenic belt and the Qilian Block, respectively, to constrain their petrogenesis, and the Silurian tectonic evolution of the Qilian orogenic belt. Zircon U–Pb ages indicate that the Haoquangou and Liujiaxia intrusions were emplaced at423 ± 3 Ma and 432 ± 4 Ma, respectively. The Haoquangou granodiorites are calc-alkaline, while the Liujiaxia granites belong to the high-K calc-alkaline *** are peraluminous in composition and have relatively depleted Nd isotopic [ε_(Nd)(t) =(-3.9 – + 0.6)] characteristics compared with regional basement rocks, implying their derivation from a juvenile lower crust. They show adakitic geochemical characteristics and were generated by partial melting of thickened lower continental crust. Postcollisional extensional regime related to lithospheric delamination was the most likely geodynamic mechanism for the generation of the Haoquangou granodiorite, while the Liujiaxia granites were generated in a compressive setting during continental collision between the Qaidam and Qilian blocks.

关键词： Silurian adakitic granitoids Petrogenesis Tectonic setting Qilian Orogenic Belt

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Impacts of multi-foulings on salinity gradient energy conversion process in negatively charged conical nanochannels

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Science China(Technological Sciences) 2024年第6期67卷 1714-1726页

作者： MAO RuiJie CHEN xi ZHOU RuHong long Rui LIU ZhiChun LIU Wei School of Energy and Power Engineering Huazhong University of Science and TechnologyWuhan430074China China-EU Institute for Clean and Renewable Energy Huazhong University of Science and TechnologyWuhan430074China School of Mechanical Science and Engineering Huazhong University of Science and TechnologyWuhan430074China

Membrane fouling inevitably occurs during nanofluidic reverse ***,the impact of multi-fouling on the energy conversion performance of negatively charged conical nanochannels under asymmetrical configurations is systematically *** results reveal that in Configuration I,where a high-concentration solution is applied at the tip side,at small concentration ratios,multiple foulings reduce the electric *** Configuration II,where a low-concentration solution is applied at the tip side,multiple foulings near the base side contribute to the electric *** fouling that formed near the lowconcentration entrance diminished the electric power and energy conversion ***-fouling lowered the electrical power consumption by 69.27%and 99.94%in Configurations I and II,*** Configuration I,the electric power first increased with increasing fouling surface charge density,reached its maximum value,and thereafter *** Configuration II,the electric power first decreased with increasing fouling surface charge density,reached its minimum value,and thereafter *** negative or positive charge densities of fouling contribute to the electric power and energy conversion efficiency.

关键词： conical nanochannel fouling nanofluidic reverse electrodialysis salinity gradient energy

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Efficient optimization of electron transfer pathway by constructing phosphide/ceria interface boosts seawater hydrogen production

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Journal of Energy Chemistry 2024年第8期95卷 490-498,I0011页

作者： Yifan Zhao Lingfeng Yang Youyu long Min xi Anran Chen Hua Zhang School of Materials and Energy Yunnan UniversityKunming 650091YunnanChina Electron Microscopy Centre of Yunnan University Yunnan UniversityKunming 650091YunnanChina

Developing efficient and durable hydrogen evolution reaction(HER)electrocatalysts is one of the most important issues for the commercialization of seawater electrolysis,but it remains ***,we report a CeO_(2)-CoP nanoneedle array catalyst loaded on Ti mesh(CeO_(2)-CoP/TM)with workfunction-induced directional charge transport *** CeO_(2)-CoP/TM catalyst showed superior HER catalytic activity and stability,with over potentials of 41 and 60 mV to attain 10 mA cm^(-2),in 1 M KOH and 1 M KOH+seawater electrolyte,*** results and theoretical calculations reveal that the work function drives the charge transfer from CeO_(2)to CoP,which effectively balances the electronic density of CoP and CeO_(2),optimizes the d-band center,and accelerates the water activation kinetics,thus enhancing the HER *** solar-driven water electrolysis device displays a high and stable solar-to-hydrogen conversion efficiency of 19.6%.This study offers a work function-induced directional charge transport strategy to design efficient and durable catalysts for hydrogen production.

关键词： Work function Heterostructure Charge transport Seawater splitting Solar-to-hydrogen

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Microstructure,wear and friction behavior of CoCrAITaY-xCNTs composite coatings deposited by laser-induction hybrid cladding

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Rare Metals 2024年第4期43卷 1815-1827页

作者： Sheng-Feng Zhou Yu long Yan-Liang Yi Cheng Deng Lian-xi Hu Institute of Advanced Wear&Corrosion Resistant and Functional Materials Jinan UniversityGuangzhou510632China Wuhan National Laboratory for Optoelectronics(WNLO) Huazhong University of Science and TechnologyWuhan430074China MOE Key Laboratory of New Processing Technology for Non-Ferrous Metals and Materials Guangxi Key Laboratory of Processing for Non-Ferrous Metals and Featured MaterialsGuangxi UniversityNanning530004China School of Mechatronics Engineering Guangdong Polytechnic Normal UniversityGuangzhou510635China School of Materials Science and Engineering Harbin Institute of TechnologyHarbin150001China

To improve the wear performance of CoCrAlYTa coating,part of the carbon nanotubes(CNTs)chemically reacted with Ta to form reinforcement phase(TaC),while the other CNTs were retained as lubrication ***,the CoCrAlYTa-xCNTs(x=0,1,2,and 4;wt%)composite coatings were prepared by laserinduction hybrid cladding(LIHC),and the microstructure and wear resistance of coatings were systematically *** show that the coatings are mainly composed of TaC,y-(Co,Cr)andβ-(Co,Cr)*** the CNTs content increases from 0 wt%to 4 wt%,the volume fraction of TaC increases from 13.11 vol%to 16.12 vol%.Meanwhile,the nano-hardness ofγ-(Co,Cr)andβ-(Co,Cr)Al are improved from 7.49 and 9.72 to 9.36 and 11.19 GPa,*** a result,the microhardness of coating increases from HV536.25 to HV 738.16,the wear rate decreases from32.4×10^(-3)to 6.1×10^(-3)mg·m^(-1),and the average friction coefficient decreases from 0.55 to *** good wear performance of the coating is attributed to the formation of TaC and the existence of remained CNTs lubricant film.

关键词： Carbon nanotube MCrAlY coating Friction and wear performance Laser-induction hybrid cladding

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Controllable Condensation of Aromatics and Its Mechanisms in Carbonization

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China Petroleum Processing & Petrochemical Technology 2024年第1期26卷 34-46页

作者： Fan xi Wang Chunlu Luo Yang Ren Qiang Shen Haiping long Jun Sinopec Research Institute of Petroleum Processing Co. Ltd.Beijing 100083China

In order to obtain liquefied products with higher yields of aromatic molecules to produce mesophase pitch,a good understanding of the relevant reaction mechanisms is *** molecular dynamics simulations were used to study the thermal reactions of pyrene,1-methylpyrene,7,8,9,10-tetrahydrobenzopyrene,and mixtures of pyrene with 1-octene,cyclohexene,or *** reactant conversion rates,reaction rates,and product distributions were calculated and compared,and the mechanisms were analyzed and *** results demonstrated that methyl and naphthenic structures in aromatics might improve the conversion rates of reactants in hydrogen transfer processes,but their steric hindrances prohibited the generation of high *** naphthenic structures could generate more free radicals and presented a more obvious inhibition effect on the condensation of polymers compared with the methyl side *** was discovered that when different olefins were mixed with pyrene,1-octene primarily underwent pyrolysis reactions,whereas cyclohexene mainly underwent hydrogen transfer reactions with pyrene and styrene,mostly producing superconjugated biradicals through condensation reactions with *** the mixture systems,the olefins scattered aromatic molecules,hindering the formation of pyrene trimers and higher *** to the reactive molecular dynamics simulations,styrene may enhance the yield of dimer and enable the controlled polycondensation of pyrene.

关键词： carbonization controllable condensation aromatics mechanisms molecular simulation

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Functional decoration on a regenerable bifunctional porous covalent organic framework probe for rapid detection and adsorption of copper ions

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Rare Metals 2024年第2期43卷 758-769页

作者： Yu-long Li xi-Lang Jin Yi-Ting Ma jing-Rui Liu Fazal Raziq Peng-Yuan Zhu Zhi-Feng Deng Hong-Wei Zhou Wei-xing Chen Wen-Huan Huang School of Materials and Chemical Engineering Xi’an Technological UniversityXi’an710021China Yulin Boyi-jingking Research Institute of Industrial Technology Development Research Yulin719054China KAUST Catalysis Center King Abdullah University of Science and Technology23955-6900ThuwalKingdom of Saudi Arabia Key Laboratory of Chemical Additives for China National Light Industry College of Chemistry and Chemical EngineeringShaanxi University of Science and TechnologyXi’an710021China National and Local Joint Engineering Laboratory for Slag Comprehensive Utilization and Environmental Technology School of Materials Science and EngineeringShaanxi University of TechnologyHanzhong723001China

Developing fluorescence porous probe for detecting and eliminating Cu^(2+) contamination in water or biosystem is an essential research project that has attracted considerable ***,improving the fluorescence detecting efficiency while enhancing the adsorption capacity of the porous probe is of great ***,a bifunctional two-dimensional imine-based porous covalent organic framework(TTP-COF)probe was designed and synthesized from 1,3,5-tris(4-aminophenyl)benzene(TAPB)and 2,4,6-Triformylphloroglucinol(TP)***-COF displayed rapid detection of Cu^(2+)(limit of detection(LOD)=10 nmol·L^(−1) while achieving a high adsorption capacity of 214 mg·g^(−1)(pH=6)at room temperature with high reusability(>5 cycles).The key roles and contributions of highπ-conjugate and delocalized electrons in TABP and functional–OH groups in TP were *** importantly,the fluorescence quenching mechanism of TTP-COF was studied by density functional theory theoretical calculations,revealing the crucial role of intramolecular hydrogen bonds among C=N and–OH groups and the blocking of the excited state intramolecular proton transfer process in detecting process of Cu^(2+).

关键词： Covalent organic framework(COF) Excited-state intramolecular proton transfer(ESIPT) Copper ion detection Copper ion adsorption Renewability

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