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Controllable synthesis of one-dimensional silicon nanostructures based on the dual effects of electro-deoxidation and the Kirkendall effect

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Nano Research 2024年第9期17卷 7814-7823页

作者： Jianxin Tu Shuo Yu Kui Hao Le Sun Ruicheng Bai Fangzhou Zhang Aijun Li Hong Liu Institute of Materials School of Materials Science and EngineeringShanghai UniversityShanghai 200444China Department of Applied Physics The Hong Kong Polytechnic UniversityKowloon 999077Hong KongChina Shaoxing institute of technology Shanghai UniversityShanghai 200444China

In this study,we successfully synthesized silicon nanotubes(Si-NTs)and silicon nanowires(Si-NWs)in a controllable manner using a catalyst-and template-free method through the direct electrolysis of SiO_(2)in a molten CaCl_(2)-CaO system,while also proposing a novel formation mechanism for ***-NWs are formed through electro-deoxidation when the cell voltage is within the range of CaO decomposition voltage and SiO_(2)decomposition *** subsequently adjusting the voltage to a value between the decomposition potentials of CaCl_(2)and CaO,in-situ electro-deoxidation of CaO takes place on the surface of the synthesized Si-NWs,leading to the formation of a Ca *** formation of Ca-Si diffusion couple leads to the creation of vacancies within the Si-NWs,as the outward diffusion rate of Si exceeds the inward diffusion rate of *** differential diffusion rates between Si and Ca in a diffusion couple exhibit an analogy to the Kirkendall *** vacancies gradually accumulate and merge,forming large voids,which ultimately result in the formation of hollow *** a subsequent dealloying process,the removal of the embedded calcium leads to the formation of *** the application of a carbon coating,the Si-NTs@C composite showcases a high initial discharge capacity of 3211 mAh·g^(-1)at 1.5 A·g^(-1)and exhibits exceptional long-term cycling stability,maintaining a capacity of 977 mAh·g^(-1)after 2000 cycles at 3.0 A·g^(-1).

关键词： silicon nanotubes silicon nanowires lithium-ion battery Kirkendall effect

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Advances in selective conversion of carbohydrates into 5-hydroxymethylfurfural

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Green Energy & Environment 2024年第9期9卷 1384-1406页

作者： Jie Liang Jianchun Jiang Tingting Cai Chao Liu Jun Ye Xianhai Zeng Kui Wang Institute of Chemical Industry of Forest Products Chinese Academy of Forestry National Engineering Lab.for Biomass Chemical Utilization Co-Innovation Center of Efficient Processing and Utilization of Forest Resources Nanjing Forestry University College of Energy State Key Laboratory of Physical Chemistry of Solid Surfaces Xiamen University

Converting carbohydrates into 5-hydroxymethylfurfural(5-HMF) is an attractive and promising route for value-added utilization of agricultural and forestry biomass resource. As an important platform compound, 5-HMF possesses high active furan structure with hydroxymethyl and aldehyde group for production of various bio-chemicals and materials, meanwhile, which suffer from low stability and poor yield during the industrial biorefinery process. Hence, selective production of 5-HMF with high-yield and low-cost has attracted extensive attention from scientific and industrial researchers. This review sorted and described the latest advanced research on solvent and catalyst system, as well as energy field effect for production of 5-HMF with different feedstock in detail, emphatically discussing the solvent effect and its synergistic effect with other aspects. Besides, the future prospects and challenges for production of 5-HMF from carbohydrates were also presented, which provide a profound insight into industrial 5-HMF process with economic and environmental feature.

关键词： 5-Hydroxymethylfurfural Biorefinery Solvent Selectivity Carbohydrate

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Temperature prediction model in multiphase flow considering phase transition in the drilling operations

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Petroleum science 2024年第3期21卷 1969-1979页

作者： Yang Zhang Yong-An Li Xiang-Wei Kong Hao Liu Teng-Fei Sun College of Mechanical and Electrical Engineering Beijing University of Chemical TechnologyBeijing 100027China School of Petroleum Engineering Yangtze UniversityWuhan430000HubeiChina

The study considers gas compression properties,gas slippage,back pressure(BP),phase transition(PT),well depth,and differences in gas-liquid physical properties.A new temperature model for multiphase flow is proposed by considering phase transition in the drilling *** mathematical model of multiphase flow is solved using the finite difference method with annulus mesh division for grid nodes,and a module for multiphase flow calculation and analysis is *** results indicate that the temperature varies along the annulus with the variation of gas influx at the bottom of the *** the process of controlled pressure drilling,as gas slips along the annulus to the wellhead,its volume continuously expands,leading to an increase in the gas content within the annulus,and consequently,an increase in the pressure drop caused by gas *** temperature increases with the increase in BP and decreases in gas influx rate and wellbore *** gas influx,the thermal conductivity coefficient for the gas-drilling mud two phases is significantly weakened,resulting in a considerable change in temperature along the *** the context of MPD,the method of slightly changing the temperature along the annulus by controlling the back pressure is feasible.

关键词： Managed pressure drilling Phase transition Temperature Gas-drilling mud two phase

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Tailoring the microstructure of Mg-Al-Sn-RE alloy via friction stir processing and the impact on its electrochemical discharge behaviour as the anode for Mg-air battery

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Journal of Magnesium and Alloys 2024年第4期12卷 1554-1565页

作者： Jingjing Liu Hao Hu Tianqi Wu Jinpeng Chen Xusheng Yang Naiguang Wang Zhicong Shi School of Materials and Energy Guangdong University of TechnologyGuangzhou 510006China Hunan Institute of Metrology and Test Changsha 410014China Department of Industrial and Systems Engineering The Hong Kong Polytechnic UniversityHung HomKowloonHong KongChina

Constructing the magnesium alloy with fine grains,low density of dislocations,and weak crystal orientation is of crucial importance to enhance its comprehensive performance as the anode for Mg-air ***,this unique microstructure can hardly be achieved with conventional plastic deformation such as rolling or ***,we tailor the microstructure of Mg-Al-Sn-RE alloy by using the friction stir processing,which obviously refines the grains without increasing dislocation density or strengthening crystal *** Mg-air battery with the processed Mg-Al-Sn-RE alloy as the anode exhibits higher discharge voltages and capacities than that employing the untreated ***,the impact of friction stir processing on the electrochemical discharge behaviour of Mg-Al-Sn-RE anode and the corresponding mechanism are also analysed according to microstructure characterization and electrochemical response.

关键词： Magnesium anode Electrochemical discharge behaviour Mg-air battery Friction stir processing

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Application of multi-algorithm ensemble methods in high-dimensional and small-sample data of geotechnical engineering:A case study of swelling pressure of expansive soils

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Journal of Rock Mechanics and Geotechnical Engineering 2024年第5期16卷 1896-1917页

作者： Chao Li Lei Wang Jie Li Yang Chen School of Urban Railway Transportation Shanghai University of Engineering ScienceShanghai201620China Discipline of Civil and Infrastructure Engineering RMIT UniversityMelbourne3001Australia School of Naval Architecture and Civil Engineering Shanghai Jiao Tong UniversityShanghai200240China

Geotechnical engineering data are usually small-sample and high-dimensional,which brings a lot of challenges in predictive *** paper uses a typical high-dimensional and small-sample swell pressure(P_(s))dataset to explore the possibility of using multi-algorithm hybrid ensemble and dimensionality reduction methods to mitigate the uncertainty of soil parameter *** on six machine learning(ML)algorithms,the base learner pool is constructed,and four ensemble methods,Stacking(SG),Blending(BG),Voting regression(VR),and Feature weight linear stacking(FWL),are used for the multi-algorithm ***,the importance of permutation is used for feature dimensionality reduction to mitigate the impact of weakly correlated variables on predictive *** results show that the proposed methods are superior to traditional prediction models and base ML models,where FWL is more suitable for modeling with small-sample datasets,and dimensionality reduction can simplify the data structure and reduce the adverse impact of the small-sample effect,which points the way to feature selection for predictive *** on the ensemble methods,the feature importance of the five primary factors affecting P_(s) is the maximum dry density(31.145%),clay fraction(15.876%),swell percent(15.289%),plasticity index(14%),and optimum moisture content(13.69%),the influence of input parameters on P_(s) is also investigated,in line with the findings of the existing literature.

关键词： Expansive soils Swelling pressure Machine learning(ML) Multi-algorithm ensemble Sensitivity analysis

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Experimental investigation on the permeability of gap-graded soil due to horizontal suffusion considering boundary effect

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Journal of Rock Mechanics and Geotechnical Engineering 2024年第3期16卷 1072-1084页

作者： Xuwei Wang Yeshuang Xu State Key Laboratory of Ocean Engineering School of Naval ArchitectureOceanand Civil EngineeringShanghai Jiao Tong UniversityShanghai200240China Shanghai Key Laboratory for Digital Maintenance of Buildings and Infrastructure Department of Civil EngineeringShanghai Jiao Tong UniversityShanghai200240China

The boundary condition is a crucial factor affecting the permeability variation due to *** experimental investigation on the permeability of gap-graded soil due to horizontal suffusion considering the boundary effect is conducted,where the hydraulic head difference(DH)varies,and the boundary includes non-loss and soil-loss *** samples are filled into seven soil storerooms connected in *** evaluation,the variation in content of fine sand(ΔR_(f))and the hydraulic conductivity of soils in each storeroom(C_(i))are *** the non-loss test,the soil sample filling area is divided into runoff,transited,and accumulated areas according to the negative or positive ΔR_(f) values.ΔR_(f) increases from negative to positive along the seepage path,and Ci decreases from runoff area to transited area and then rebounds in accumulated *** the soil-loss test,all soil sample filling areas belong to the runoff area,where the gentle-loss,strengthened-loss,and alleviated-loss parts are further divided.ΔR_(f) decreases from the gentle-loss part to the strengthened-loss part and then rebounds in the alleviated-loss part,and C_(i) increases and then decreases along the seepage *** relationship between ΔR_(f) and Ci is different with the boundary *** exponentially decreases with ΔR_(f) in the non-loss test and increases with ΔR_(f) generally in the soil-loss test.

关键词： Suffusion Permeability Experimental investigation Boundary effect Horizontal seepage

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Dual-functional poly(2-methyl-2-oxazoline)/poly(2-(dimethylamine)ethyl methacrylate)mixed brushes with switchable protein adsorption and antibacterial properties

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Chinese Journal of Chemical Engineering 2024年第2期66卷 19-30页

作者： Kang He Liangyu Zhu Yanmei Wang CAS Key Laboratory of Soft Matter Chemistry Department of Polymer Science and EngineeringUniversity of Science and Technology of ChinaHefei 230026China

Herein,binary mixed brushes consisting of poly(2-methyl-2-oxazoline)(PMOXA)and poly(2-(dimethylamine)ethyl methacrylate)(PDMAEMA)with different chain lengths were fabricated by successive grafting of NH_(2)-terminated PMOXA and SH-terminated PDMAEMA onto polydopamine-anchored *** mixed-brush coating was characterized by variable-angle spectroscopic ellipsometry,X-ray photoelectron spectroscopy,Fourier transform infrared spectroscopy,zeta potential measurements,water contact angle,and atomic force *** mixed brushes showed tunable surface charge,wettability,and surface roughness,depending on the degree of PDMAEMA swelling under varying pH and ionic strength(Ⅰ).Then the adsorption behaviors of pepsin,bovine serum albumin(BSA),γ-globulin,and lysozyme,four very different proteins with regard to isoelectric point,on the mixed brushes coating were studied by using fluorescence microscopy and surface plasmon *** the chain length of PDMAEMA was about twice as long as PMOXA,the mixed brushes not only had high adsorption capacity for pepsin,BSA,and y-globulin but also had a desorption efficiency of 86.9%,87.1%,and 93.5%,*** is explained that electrostatic attraction between the protonated PDMAEMA and positively charged acidic proteins(pepsin and BSA,whose isoelectric points were below the pK_(a) of PDMAEMA)would drive the intensive adsorption(at pH 3,I=10^(-3)mol·L^(-1)for pepsin,and pH 5,I=10^(-5)mol·L^(-1)for BSA),while desorption was dominated by the hydrophilic PMOXA when PDMAEMA was shrinking(at pH 7,I=10^(-1)mol·L^(-1)for pepsin,and pH 9,I=10^(-1)mol·L^(-1)for BSA).Furthermore,the isoelectric precipitation led to the adsorption of neutral protein(γ-globulin,whose isoelectric point was near the pK_a of PDMAEMA)at pH 7,I=10^(-5)mol·L^(-1),while electrostatic repulsion and antifouling PMOXA triggered the desorption of y-globulin at pH 3,I-10^(-1)mol·L^(-1).However,alkaline protein(lysozyme,whose isoelectric point was higher than

关键词： Switchable conformation transition Controllable protein adsorption Mixed brushes Isoelectric point Antibacterial surface

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Random Green's Function Method for Large-Scale Electronic Structure Calculation

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Chinese Physics Letters 2024年第5期41卷 23-29页

作者：汤明发刘畅张爱霞张青云翟佳羽袁声军柯友启 School of Physical science and Technology ShanghaiTech UniversityShanghai 201210China Xiaogan Sichuang Information Technology Co. LTDXiaogan 432000China Institute of Mathematical sciences ShanghaiTech UniversityShanghai 201210China Key Laboratory of Artificial Micro-and Nano-structures of Ministry of Education and School of Physics and TechnologyWuhan UniversityWuhan 430072China Wuhan Institute of Quantum Technology Wuhan 430206China

We report a linear-scaling random Green's function(rGF) method for large-scale electronic structure calculation. In this method, the rGF is defined on a set of random states and is efficiently calculated by projecting onto Krylov subspace. With the rGF method, the Fermi–Dirac operator can be obtained directly, avoiding the polynomial expansion to Fermi–Dirac function. To demonstrate the applicability, we implement the rGF method with the density-functional tight-binding method. It is shown that the Krylov subspace can maintain at small size for materials with different gaps at zero temperature, including H_(2)O and Si clusters. We find with a simple deflation technique that the rGF self-consistent calculation of H_(2)O clusters at T = 0 K can reach an error of~ 1 me V per H_(2)O molecule in total energy, compared to deterministic calculations. The rGF method provides an effective stochastic method for large-scale electronic structure simulation.

关键词： calculation function method

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Hard-carbon hybrid Li-ion/metal anode enabled by preferred mesoporous uniform lithium growth mechanism

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Journal of Energy Chemistry 2024年第1期88卷 252-259,I0006页

作者： Fang Yan Yan Liu Yuan Li Yan Wang Zicen Deng Meng Li Zhenwei Zhu Aohan Zhou Ting Li Jingyi Qiu Gaoping Cao Shaobo Huang Biyan Wang Hao Zhang School of Chemistry and Biological Engineering University of Science and TechnologyBeijing 100083China Research Institute of Chemical Defense Beijing 100191China College of Physics and Engineering Henan University of Science and TechnologyLuoyang 471023HenanChina national Base for International science&Technology Cooperation School of ChemistryXiangtan UniversityXiangtan 411105HunanChina Materials and Manufacturing Department Beijing University of TechnologyBeijing 100124China

To achieve high energy density in lithium batteries,the construction of lithium-ion/metal hybrid anodes is a promising *** particular,because of the anisotropy of graphite,hybrid anode formed by graphite/Li metal has low transport kinetics and is easy to causes the growth of lithium dendrites and accumulation of dead Li,which seriously affects the cycle life of batteries and even causes safety ***,by comparing graphite with two types of hard carbon,it was found that hybrid anode formed by hard carbon and lithium metal,possessing more disordered mesoporous structure and lithophilic groups,presents better *** indicate that the mesoporous structure provides abundant active site and storage space for dead *** the synergistic effect of this structure and lithophilic functional groups(–COOH),the reversibility of hard carbon/lithium metal hybrid anode is maintained,promoting uniform deposition of lithium metal and alleviating formation of lithium *** hybrid anode maintains a 99.5%Coulombic efficiency(CE)after 260 cycles at a specific capacity of 500 m Ah/*** work provides new insights into the hybrid anodes formed by carbon-based materials and lithium metal with high specific energy and fast charging ability.

关键词： Hard carbon/Li metal hybrid anode Mesoporous structure Surface oxygen functional group Fast charging Lithium batteries

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Degradation analysis and doping modification optimization for high-voltage P-type layered cathode in sodium-ion batteries

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Journal of Energy Chemistry 2024年第2期89卷 1-9,I0002页

作者： Bao Zhang Yi Zhao Minghuang Li Qi Wang Lei Cheng Lei Ming Xing Ou Xiaowei Wang national Engineering Laboratory for High-Efficiency Recovery of Refractory Nonferrous Metals School of Metallurgy and EnvironmentCentral South UniversityChangsha 410083HunanChina Zhejiang Power New Energy Co. LTDZhuji 311800ZhejiangChina

Advancing high-voltage stability of layered sodium-ion oxides represents a pivotal avenue for their progress in energy storage *** this,a comprehensive understanding of the mechanisms underpinning their structural deterioration at elevated voltages remains insufficiently *** this study,we unveil a layer delamination phenomenon of Na_(0.67)Ni_(0.3)Mn_(0.7)O_(2)(NNM)within the 2.0-4.3 V voltage,attributed to considerable volumetric fluctuations along the c-axis and lattice oxygen reactions induced by the simultaneous Ni^(3+)/Ni^(4+)and anion redox *** introducing Mg doping to diminished Ni-O antibonding,the anion oxidation-reduction reactions are effectively mitigated,and the structural integrity of the P2 phase remains firmly intact,safeguarding active sites and precluding the formation of novel *** Na_(0.67)Mg_(0.05)Ni_(0.25)Mn_(0.7)O_(2)(NMNM-5)exhibits a specific capacity of100.7 mA h g^(-1),signifying an 83%improvement compared to the NNM material within the voltage of2.0-4.3 *** investigation underscores the intricate interplay between high-voltage stability and structural degradation mechanisms in layered sodium-ion oxides.

关键词： Soidum ion batteries Layer cathode materials P-type High-voltage performance Degradation analysis

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