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A ternary mechanism for the facilitated transfer of metal ions onto metal–organic frameworks: implications

《化学科学与工程前沿（英文）》页码 1632-1642 doi: 10.1007/s11705-022-2187-6

摘要： Although metal–organic frameworks offer a new platform for developing versatile sorption materials, yet coordinating the functionality, structure and component of these materials remains a great challenge. It depends on a comprehensive knowledge of a “real sorption mechanism”. Herein, a ternary mechanism for U(VI) uptake in metal–organic frameworks was reported. Analogous MIL-100s (Al, Fe, Cr) were prepared and studied for their ability to sequestrate U(VI) from aqueous solutions. As a result, MIL-100(Al) performed the best among the tested materials, and MIL-100(Cr) performed the worst. The nuclear magnetic resonance technique combined with energy-dispersive X-ray spectroscopy and zeta potential measurement reveal that U(VI) uptake in the three metal–organic frameworks involves different mechanisms. Specifically, hydrated uranyl ions form outer-sphere complexes in the surface of MIL-100s (Al, Fe) by exchanging with hydrogen ions of terminal hydroxyl groups (Al-OH₂, Fe-OH₂), and/or, hydrated uranyl ions are bound directly to Al(III) center in MIL-100(Al) through a strong inner-sphere coordination. For MIL-100(Cr), however, the U(VI) uptake is attributed to electrostatic attraction. Besides, the sorption mechanism is also pH and ionic strength dependent. The present study suggests that changing metal center of metal–organic frameworks and sorption conditions alters sorption mechanism, which helps to construct effective metal–organic frameworks-based sorbents for water purification.

关键词： U(VI) metal–organic frameworks adsorption mechanism metal node

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Sustainability of metal recovery from E-waste

Biswajit Debnath, Ranjana Chowdhury, Sadhan Kumar Ghosh

《环境科学与工程前沿（英文）》 2018年第12卷第6期 doi: 10.1007/s11783-018-1044-9

摘要：

Metal recovery techniques from electronic waste reported in literature.

Metal recovery processes followed in Industries from electronic waste.

Sustainability analysis of metal recovery processes from electronic waste.

关键词： E-waste Metal recovery Metal Recovery from E-waste (MREW) Sustainability

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Liquid metal thermal hydraulics R&D at European scale: achievements and prospects

《能源前沿（英文）》 2021年第15卷第4期页码 842-853 doi: 10.1007/s11708-021-0743-2

摘要： A significant role for a future nuclear carbon-free energy production is attributed to fast reactors, mostly employing a liquid metal as a coolant. This paper summarizes the efforts that have been undertaken in collaborative projects sponsored by the European Commission in the past 20 years in the fields of liquid-metal heat transfer modeling, fuel assembly and core thermal hydraulics, pool and system thermal hydraulics, and establishment of best practice guidelines and verification, validation, and uncertainty quantification (UQ). The achievements in these fields will be presented along with the prospects on topics which will be studied collaboratively in Europe in the years to come. These prospects include further development of heat transfer models for applied computational fluid dynamics (CFD), further analysis of the consequences of fuel assembly blockages on coolant flow and temperature, analysis of the thermal hydraulic effects in deformed fuel assemblies, extended validation of three-dimensional pool thermal hydraulic CFD models, and further development and validation of multi-scale system thermal hydraulic methods.

关键词： liquid metal thermal hydraulics Europe

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Localized high-concentration electrolytes for lithium metal batteries: progress and prospect

《化学科学与工程前沿（英文）》 doi: 10.1007/s11705-022-2286-4

摘要： With the increasing development of digital devices and electric vehicles, high energy-density rechargeable batteries are strongly required. As one of the most promising anode materials with an ultrahigh specific capacity and extremely low electrode potential, lithium metal is greatly considered an ideal candidate for next-generation battery systems. Nevertheless, limited Coulombic efficiency and potential safety risks severely hinder the practical applications of lithium metal batteries due to the inevitable growth of lithium dendrites and poor interface stability. Tremendous efforts have been explored to address these challenges, mainly focusing on the design of novel electrolytes. Here, we provide an overview of the recent developments of localized high-concentration electrolytes in lithium metal batteries. Firstly, the solvation structures and physicochemical properties of localized high-concentration electrolytes are analyzed. Then, the developments of localized high-concentration electrolytes to suppress the formation of dendritic lithium, broaden the voltage window of electrolytes, enhance safety, and render low-temperature operation for robust lithium metal batteries are discussed. Lastly, the remaining challenges and further possible research directions for localized high-concentration electrolytes are outlined, which can promisingly render the practical applications of lithium metal batteries.

关键词： high-concentration electrolyte localized high-concentration electrolyte lithium metal battery solid electrolyte interphase dendrite

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Analysis of molten metal spreading and solidification behaviors utilizing moving particle full-implicit

《能源前沿（英文）》 2021年第15卷第4期页码 959-973 doi: 10.1007/s11708-021-0753-0

摘要： To retrieve the fuel debris in Fukushima Daiichi Nuclear Power Plants (1F), it is essential to infer the fuel debris distribution. In particular, the molten metal spreading behavior is one of the vital phenomena in nuclear severe accidents because it determines the initial condition for further accident scenarios such as molten core concrete interaction (MCCI). In this study, the fundamental molten metal spreading experiments were performed with different outlet diameters and sample amounts to investigate the effect of the outlet for spreading-solidification behavior. In the numerical analysis, the moving particle full-implicit method (MPFI), which is one of the particle methods, was applied to simulate the spreading experiments. In the MPFI framework, the melting-solidification model including heat transfer, radiation heat loss, phase change, and solid fraction-dependent viscosity was developed and implemented. In addition, the difference in the spreading and solidification behavior due to the outlet diameters was reproduced in the calculation. The simulation results reveal the detailed solidification procedure during the molten metal spreading. It is found that the viscosity change and the solid fraction change during the spreading are key factors for the free surface condition and solidified materials. Overall, it is suggested that the MPFI method has the potential to simulate the actual nuclear melt-down phenomena in the future.

关键词： molten metal spreading solidification particle method severe accident fuel debris decommissioning

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Visible light responsive photocatalysts developed by substitution with metal cations aiming at artificial

《能源前沿（英文）》 2021年第15卷第3期页码 568-576 doi: 10.1007/s11708-021-0774-8

摘要： To solve resource, energy, and environmental issues, development of sustainable clean energy system is strongly required. In recent years, hydrogen has been paid much attention to as a clean energy. Solar hydrogen production by water splitting using a photocatalyst as artificial photosynthesis is a promising method to solve these issues. Efficient utilization of visible light comprised of solar light is essential for practical use. Three strategies, i.e., doping, control of valence band, and formation of solid solution are often utilized as the useful methods to develop visible light responsive photocatalysts. This mini-review introduces the recent work on visible-light-driven photocatalysts developed by substitution with metal cations of those strategies.

关键词： visible light responsive photocatalyst water splitting artificial photosynthesis: metal ion substitution

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Room temperature liquid metal: its melting point, dominating mechanism and applications

Junheng FU, Chenglin ZHANG, Tianying LIU, Jing LIU

《能源前沿（英文）》 2020年第14卷第1期页码 81-104 doi: 10.1007/s11708-019-0653-8

摘要： The room temperature liquid metal (LM) is recently emerging as a new class of versatile materials with fascinating characteristics mostly originated from its simultaneous metallic and liquid natures. The melting point is a typical parameter to describe the peculiarity of LM, and a pivotal factor to consider concerning its practical applications such as phase change materials (PCMs) and advanced thermal management. Therefore, the theoretical exploration into the melting point of LM is an essential issue, which can be of special value for the design of new LM materials with desired properties. So far, some available strategies such as molecular dynamics (MD) simulation and classical thermodynamic theory have been applied to perform correlative analysis. This paper is primarily dedicated to performing a comprehensive overview regarding typical theoretical strategies on analyzing the melting points. It, then, presents evaluations on several factors like components, pressure, size and supercooling that may be critical for melting processes of liquid metal. After that, it discusses applications associated with the characteristic of low melting points of LM. It is expected that a great many fundamental and practical works are to be conducted in the coming future.

关键词： melting point liquid metal crystal thermodynamics molecular dynamics

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Surface tension of liquid metal: role, mechanism and application

Xi ZHAO, Shuo XU, Jing LIU

《能源前沿（英文）》 2017年第11卷第4期页码 535-567 doi: 10.1007/s11708-017-0463-9

摘要： Surface tension plays a core role in dominating various surface and interface phenomena. For liquid metals with high melting temperature, a profound understanding of the behaviors of surface tension is crucial in industrial processes such as casting, welding, and solidification, etc. Recently, the room temperature liquid metal (RTLM) mainly composed of gallium-based alloys has caused widespread concerns due to its increasingly realized unique virtues. The surface properties of such materials are rather vital in nearly all applications involved from chip cooling, thermal energy harvesting, hydrogen generation, shape changeable soft machines, printed electronics to 3D fabrication, etc. owing to its pretty large surface tension of approximately 700 mN/m. In order to promote the research of surface tension of RTLM, this paper is dedicated to present an overview on the roles and mechanisms of surface tension of liquid metal and summarize the latest progresses on the understanding of the basic knowledge, theories, influencing factors and experimental measurement methods clarified so far. As a practical technique to regulate the surface tension of RTLM, the fundamental principles and applications of electrowetting are also interpreted. Moreover, the unique phenomena of RTLM surface tension issues such as surface tension driven self-actuation, modified wettability on various substrates and the functions of oxides are discussed to give an insight into the acting mechanism of surface tension. Furthermore, future directions worthy of pursuing are pointed out.

关键词： surface tension liquid metal soft machine printed electronics electrowetting self-actuation

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Structural engineering of transition metal-based nanostructured electrocatalysts for efficient water

Yueqing Wang, Jintao Zhang

《化学科学与工程前沿（英文）》 2018年第12卷第4期页码 838-854 doi: 10.1007/s11705-018-1746-3

摘要： Water splitting is a highly promising approach for the generation of sustainable, clean hydrogen energy. Tremendous efforts have been devoted to exploring highly efficient and abundant metal oxide electrocatalysts for oxygen evolution and hydrogen evolution reactions to lower the energy consumption in water splitting. In this review, we summarize the recent advances on the development of metal oxide electrocatalysts with special emphasis on the structural engineering of nanostructures from particle size, composition, crystalline facet, hybrid structure as well as the conductive supports. The special strategies relay on the transformation from the metal organic framework and ion exchange reactions for the preparation of novel metal oxide nanostructures with boosting the catalytic activities are also discussed. The fascinating methods would pave the way for rational design of advanced electrocatalysts for efficient water splitting.

关键词： water splitting structure engineering metal organic framework ion exchange synergistic effect hybrid structure conductive supports

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Recent progress in electrospun nanofibers and their applications in heavy metal wastewater treatment

《化学科学与工程前沿（英文）》 2023年第17卷第3期页码 249-275 doi: 10.1007/s11705-022-2245-0

摘要： Novel adsorbents with a simple preparation process and large capacity for removing highly toxic and nondegradable heavy metals from water have drawn the attention of researchers. Electrospun nanofiber membranes usually have the advantages of large specific surface areas and high porosity and allowing flexible control and easy functionalization. These membranes show remarkable application potential in the field of heavy metal wastewater treatment. In this paper, the electrospinning technologies, process types, and the structures and types of nanofibers that can be prepared are reviewed, and the relationships among process, structure and properties are discussed. On one hand, based on the different components of electrospun nanofibers, the use of organic, inorganic and organic−inorganic nanofiber membrane adsorbents in heavy metal wastewater treatment are introduced, and their advantages and future development are summarized and prospected. On the other hand, based on the microstructure and overall structure of the nanofiber membrane, the recent progresses of electrospun functional membranes for heavy metal removal are reviewed, and the advantages of different structures for applications are concluded. Overall, this study lays the foundation for future research aiming to provide more novel structured adsorbents.

关键词： electrospinning heavy metal adsorption nanostructure wastewater

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Harvesting biomechanical energy in the walking by shoe based on liquid metal magnetohydrodynamics

Dan DAI, Jing LIU, Yixin ZHOU

《能源前沿（英文）》 2012年第6卷第2期页码 112-121 doi: 10.1007/s11708-012-0186-x

摘要： A liquid metal magnetohydrodynamics generation system (LMMGS) was proposed and demonstrated in this paper for collecting parasitic power in shoe while walking. Unlike the conventional shoe-mounted human power harvesters that use solid coil and gear mechanism, the proposed system employs liquid metal (Ga In Sn ) as energy carrier, where no moving part is requested in magnetohydrodynamics generators (MHGs). While walking with the LMMGS, the foot alternately presses the two liquid metal pumps (LMPs) which are respectively placed in the front and rear of the sole. As a result, the liquid metal in the LMPs (LMP I and II) is extruded and flows through the MHGs (MHG I and II) in which electricity is produced. For a comparison, three types of LMMGSs (LMMGS A, B and C) were built where all the parts are the same except for the LMPs. Furthermore, performances of these LMMGSs with different volume of injected liquid metal were tested respectively. Experimental results reveal that both the output voltage and power of the LMMGS increase with the volume of injected liquid metal and the size of the LMPs. In addition, a maximum output power of 80 mW is obtained by the LMMGS C with an efficiency of approximately 1.3%. Given its advantages of no side effect, light weight, small size and reliability, The LMMGS is well-suited for powering the wearable and implantable micro/nano device, such as wearable sensors, drug pumps and so on.

关键词： human energy harvesting liquid metal wearable magnetohydrodynamics generator parasitic power in shoe

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Experimental investigation of liquid metal alloy based mini-channel heat exchanger for high power electronic

Manli LUO, Jing LIU

《能源前沿（英文）》 2013年第7卷第4期页码 479-486 doi: 10.1007/s11708-013-0277-3

摘要： There is currently a growing demand for developing efficient techniques for cooling integrated electronic devices with ever increasing heat generation power. To better tackle the high-density heat dissipation difficulty within the limited space, this paper is dedicated to clarify the heat transfer behaviors of the liquid metal flowing in mini-channel exchangers with different geometric configurations. A series of comparative experiments using liquid metal alloy Ga68%In20%Sn12% as coolant were conducted under prescribed mass flow rates in three kinds of heat exchangers with varied geometric sizes. Meanwhile, numerical simulations for the heat exchangers under the same working conditions were also performed which well interpreted the experimental measurements. The simulated heat sources were all cooled down by these three heat dissipation apparatuses and the exchanger with the smallest channel width was found to have the largest mean heat transfer coefficient at all conditions due to its much larger heat transfer area. Further, the present work has also developed a correlation equation for characterizing the Nusselt number depending on Peclet number, which is applicable to the low Peclet number case with constant heat flux in the hydrodynamically developed and thermally developing region in the rectangular channel. This study is expected to provide valuable reference for designing future liquid metal based mini-channel heat exchanger.

关键词： heat exchanger liquid metal mini-channel heat dissipation heat transfer coefficient

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Experimental research on ductile fracture criterion in metal forming

Song YU, Weiming FENG

《机械工程前沿（英文）》 2011年第6卷第3期页码 308-311 doi: 10.1007/s11465-011-0233-z

摘要：

Ductile fracture criterion is key limitation parameter in material forming. Accuracy predicting surface and internal failure in plastic deformation process affects on the technology design of workpiece and die greatly. Tension, compression, torsion and shearing test on 45# steel are utilized for providing the experimental values of the critical values at fracture, and 11 widely used ductile fracture criterion are selected to simulate the physical experiments and their relative accuracy for predicting and quantifying fracture initiation sites are investigated. The comparing results show that metal forming process under high triaxiality can be estimated successively using both Normalized Cockcroft-latham and the Brozzo ductile fracture criteria, but the Ayada and general Rice-Tracey model work very well for the low triaxiality cases.

关键词： ductile fracture criteria metal forming process material experiment stress triaxiality

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Optimizing iodine capture performance by metal–organic framework containing with bipyridine units

《化学科学与工程前沿（英文）》页码 395-403 doi: 10.1007/s11705-022-2218-3

摘要： Radioactive iodine exhibits medical values in radiology, but its excessive emissions can cause environmental pollution. Thus, the capture of radioiodine poses significant engineering for the environment and medical radiology. The adsorptive capture of radioactive iodine by metal–organic frameworks (MOFs) has risen to prominence. In this work, a Th-based MOF (denoted as Th-BPYDC) was structurally designed and synthesized, consisting of [Th₆(μ₃-O)₄(μ₃-OH)₄(H₂O)₆]¹²⁺ clusters, abundant bipyridine units, and large cavities that allowed guest molecules diffusion and transmission. Th-BPYDC exhibited the uptake capacities of 2.23 g·g⁻¹ and 312.18 mg·g⁻¹ towards I₂ vapor and I₂ dissolved in cyclohexane, respectively, surpassing its corresponding analogue Th-UiO-67. The bipyridine units boosted the adsorption performance, and Th-BPYDC showed good reusability with high stability. Our work thus opened a new way for the synthesis of MOFs to capture radioactive iodine.

关键词： metal–organic framework iodine adsorption nuclear waste environmental remediation

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Liquid metal material genome: Initiation of a new research track towards discovery of advanced energy

Lei WANG, Jing LIU

《能源前沿（英文）》 2013年第7卷第3期页码 317-332 doi: 10.1007/s11708-013-0271-9

摘要： As the basis of modern industry, the roles materials play are becoming increasingly vital in this day and age. With many superior physical properties over conventional fluids, the low melting point liquid metal material, especially room-temperature liquid metal, is recently found to be uniquely useful in a wide variety of emerging areas from energy, electronics to medical sciences. However, with the coming enormous utilization of such materials, serious issues also arise which urgently need to be addressed. A biggest concern to impede the large scale application of room-temperature liquid metal technologies is that there is currently a strong shortage of the materials and species available to meet the tough requirements such as cost, melting point, electrical and thermal conductivity, etc. Inspired by the Material Genome Initiative as issued in 2011 by the United States of America, a more specific and focused project initiative was proposed in this paper—the liquid metal material genome aimed to discover advanced new functional alloys with low melting point so as to fulfill various increasing needs. The basic schemes and road map for this new research program, which is expected to have a worldwide significance, were outlined. The theoretical strategies and experimental methods in the research and development of liquid metal material genome were introduced. Particularly, the calculation of phase diagram (CALPHAD) approach as a highly effective way for material design was discussed. Further, the first-principles (FP) calculation was suggested to combine with the statistical thermodynamics to calculate the thermodynamic functions so as to enrich the CALPHAD database of liquid metals. When the experimental data are too scarce to perform a regular treatment, the combination of FP calculation, cluster variation method (CVM) or molecular dynamics (MD), and CALPHAD, referred to as the mixed FP-CVM-CALPHAD method can be a promising way to solve the problem. Except for the theoretical strategies, several parallel processing experimental methods were also analyzed, which can help improve the efficiency of finding new liquid metal materials and reducing the cost. The liquid metal material genome proposal as initiated in this paper will accelerate the process of finding and utilization of new functional materials.

关键词： liquid metal material genome energy material material discovery advanced material room-temperature liquid alloy thermodynamics phase diagram

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标题作者时间类型操作

A ternary mechanism for the facilitated transfer of metal ions onto metal–organic frameworks: implications

期刊论文

Sustainability of metal recovery from E-waste

Biswajit Debnath, Ranjana Chowdhury, Sadhan Kumar Ghosh

期刊论文

Liquid metal thermal hydraulics R&D at European scale: achievements and prospects

期刊论文

Localized high-concentration electrolytes for lithium metal batteries: progress and prospect

期刊论文

Analysis of molten metal spreading and solidification behaviors utilizing moving particle full-implicit

期刊论文

Visible light responsive photocatalysts developed by substitution with metal cations aiming at artificial

期刊论文

Room temperature liquid metal: its melting point, dominating mechanism and applications

Junheng FU, Chenglin ZHANG, Tianying LIU, Jing LIU

期刊论文

Surface tension of liquid metal: role, mechanism and application

Xi ZHAO, Shuo XU, Jing LIU

期刊论文

Structural engineering of transition metal-based nanostructured electrocatalysts for efficient water

Yueqing Wang, Jintao Zhang

期刊论文

Recent progress in electrospun nanofibers and their applications in heavy metal wastewater treatment

期刊论文

Harvesting biomechanical energy in the walking by shoe based on liquid metal magnetohydrodynamics

Dan DAI, Jing LIU, Yixin ZHOU

期刊论文

Experimental investigation of liquid metal alloy based mini-channel heat exchanger for high power electronic

Manli LUO, Jing LIU

期刊论文

Experimental research on ductile fracture criterion in metal forming

Song YU, Weiming FENG

期刊论文

Optimizing iodine capture performance by metal–organic framework containing with bipyridine units

期刊论文

Liquid metal material genome: Initiation of a new research track towards discovery of advanced energy

Lei WANG, Jing LIU

期刊论文

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