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energy & Environmental Materials 2024年第3期7卷 232-239页

作者： Fan Liu Xinghong Cai Yang Tang Wenqian Liu Qianwei Chen Peixin Dong Maowen Xu Yangyang Tan Shujuan Bao Institute for Clean energy & advanced Materials School of Materials and EnergySouthwest University

Electrocatalytic hydrogen evolution and sulfion (S2-) recycling are promising strategies for boosting H2production and removing environmental ***,a nano-Ni-functionalized molybdenum disulfide （MoS2）nanosheet was assembled on steel mesh （Ni-MoS2/SM） for use in sulfide oxidation reaction-assisted,energy-saving *** and theoretical calculation results revealed that anchoring nano-Ni on highsurface-area slack MoS2 nanosheets not only optimized catalyst adsorption of polysulfides but also played an important role in promoting hydrogen evolution reaction kinetics by absorbing OHad,thereby greatly enhancing the catalytic performance toward sulfide oxidation reaction and hydrogen evolution ***,the Ni/MoS2-based hydrogen evolution reaction+sulfide oxidation reaction system achieved nearly 100%hydrogen production efficiency and only consumed 61%less power per kWh than the oxygen evolution reaction+hydrogen evolution reaction system,which suggested our proposed Ni-MoS2and novel hydrogen production system are promising for sustainable energy production.

关键词： hydrogen evolution reaction low energy consumption molybdenum disulfide sulfide oxidation reaction

Highly selective and eco-friendly dihydroisoquinoline synthesis via Cu/Co synergistic catalysis in Cu NPs@MOFs catalyst under mild conditions

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Science China Chemistry 2024年第5期67卷 1561-1568页

作者： Peng-Fei Guo Ze-Long Liang Yue-E Jiao Hang Xu Bin Zhao Key Laboratory of advanced energy Material Chemistry Renewable Energy Conversion and Storage CenterDepartment of ChemistryNankai UniversityTianjin 300071China

3,4-Dihydroisoquinoline(DHIQ)is an important precursor used in the production of drugs for treating cancer,HIV,Alzheimer's disease,*** studies on DHIQ synthesis show low catalytic selectivity due to the susceptible over-oxidation feedstock of1,2,3,4-tetrahydroisoquinoline(THIQ),which often requires alkali ***,it is desirable yet challenging to explore a highly selective and efficient oxydehydrogenation capacity for DHIQ synthesis under eco-friendly reaction ***,a novel framework 1 was synthesized,exhibiting 1D channels with the size of 4.6 A×9.6 A and high solvent/p H/thermal stability.A stable framework allows it to encapsulate Cu nanoparticles(NPs)to form Cu NPs@1-x(x=1,2,3,and 4)with varying loading amounts of Cu NPs at 2.0 wt%,3.0 wt%,4.0 wt%,and 6.0 wt%,*** NPs@1-3 could selectively catalyze the reaction from THIQ to DHIQ with a high selectivity of 98%and a recorded turnover frequency(TOF)of 22.1 h-1under eco-friendly mild *** corresponding catalytic activity can maintain at least five recyclings and can be further applied to gram-scale ***,the efficient preparation of DHIQ catalyzed by Cu NPs@1-3 could be realized even under air ***,the anticancer molecule precursor synthesis of 6,7-dimethoxy-3,4-dihydroisoquinoline was also selectively catalyzed by Cu NPs@*** investigations revealed that high catalytic performance can be attributed to the stable framework and the synergistic catalytic effect of the loaded Cu NPs and Co metal *** importantly,this work represents the first example of MOF catalysts for selectively thermo-catalytic DHIQ synthesis and demonstrates a simple approach to obtain efficient catalysts for selective oxydehydrogenation in the production of unsaturated compounds.

关键词： metal-organic frameworks Cu NPs@MOFs 3 4-dihydroisoquinoline selective oxydehydrogenation synergistic catalysis

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Metal-Organic Framework Enabling Poly(Vinylidene Fluoride)-Based Polymer Electrolyte for Dendrite-Free and Long-Lifespan Sodium Metal Batteries

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energy & Environmental Materials 2024年第1期7卷 72-80页

作者： Yusi Lei Liang Yue Yuruo Qi Yubin Niu Shujuan Bao Jie Song Maowen Xu Faculty of Materials and energy Institute for Clean Energy & Advanced Materials Southwest University Shandong Zero-One-Four advanced Materials Co. Ltd.

Sodium dentrite formed by uneven plating/stripping can reduce the utilization of active sodium with poor cyclic stability and,more importantly,cause internal short circuit and lead to thermal runaway and ***,sodium de... 详细信息

关键词： dendrite-free gel polymer electrolyte metal organic framework sodium batteries

Anticipating the lifespan: Predicting the durability of an anode-supported solid oxide fuel cell short stack over 50,000 h

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Progress in Natural Science:Materials International 2024年第3期34卷 606-613页

作者： Muhammad Zubair Khan Amjad Hussain Seung-Bok Lee Tak-Hyoung Lim Rak-Hyun Song department of Materials Science & Engineering Pak-Austria Fachhochschule: Institute of Applied Sciences and Technology Hydrogen energy Research Division Korea Institute of Energy Research department of advanced energy and System Engineering Korea University of Science and Technology (UST)

In the present study, the operational lifetime of a solid oxide fuel(SOFC) short stack is predicted by investigating the performance degradation of both the short stack and its cells throughout 1000 h at 800°C. The short stack and integral cell voltages are continuously measured during the long-term test, with electrochemical impedance spectroscopy(EIS) conducted every 200 h. The short stack voltage decreased rapidly for the initial 200–300 h and afterwards, it decreased at a slow rate due to the increase in the Ohmic and polarization resistances in the same manner. Scanning electron microscopy results show that there is no delamination or cracking among constituent layers of the short-stack cells. The single degradation effects of the Ni coarsening in the anode, cation migration and surface segregation in cathode and oxide scale growth in metallic interconnect mesh are successfully integrated into a comprehensive lifetime prediction model. The experimentally measured voltage degradation data of the short stack fits well with the developed mathematical model and allows the successful prediction of the lifetime up to 50,000 h.

关键词： Degradation Impedance Lifetime SOFC Stack

Transition metals for stabilizing lithium metal anode:advances and perspectives

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Tungsten 2024年第1期6卷 212-229页

作者： Si-Cheng Miao Ye Jia Zhi-Wen Deng Yan Deng Ruo-Xuan Chen Xue-Mei Zhang Chang-Haoyue Xu Meng Yao Wen-Long Cai department of advanced energy Materials College of Materials Science and EngineeringSichuan UniversityChengdu 610064China

As the capacity of lithium-ion batteries gradually reaches its limit,the high-capacity characteristics of lithium metal batteries(LMBs)make them one of the most promising electrochemical energy storage devices ***,uncontrolled lithium dendrite growth can cause poor cell performance and severe safety issues,seriously slowing down the commercialization of *** metals(TMs)are lithiophilic materials that effectively stabilize lithium metal anode(LMA)and inhibit dendrite ***,the growth of lithium dendrites and the performance of TMs in stabilizing lithium metals are comprehensively discussed in this ***,we elucidated the formation mechanisms of lithium dendrite,and we put forward several strategies to suppress lithium dendrite formation based on the understanding of these ***,the application of TMs and their compounds to stabilize LMA and their corresponding mechanisms are comprehensively ***,further research perspectives of TMs in stabilizing LMA are emphasized in detail.

关键词： Transition metals Lithium metal batteries Lithium dendrite Solid electrolyte interphase Formation mechanism

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Stable immobilization of lithium polysulfides using three-dimensional ordered mesoporous Mn_(2)O_(3) as the host material in lithium-sulfur batteries

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Carbon energy 2024年第6期6卷 99-112页

作者： Sung Joon Park Yun Jeong Choi Hyun-seung Kim Min Joo Hong Hongjun Chang Janghyuk Moon Young-Jun Kim Junyoung Mun Ki Jae Kim department of energy Science Sungkyunkwan UniversitySuwonGyeonggi-doRepublic of Korea department of energy Engineering Konkuk UniversitySeoulRepublic of Korea advanced Batteries Research Center Korea Electronic Technology InstituteSeongnamRepublic of Korea department of Future energy Engineering Sungkyunkwan UniversitySuwonRepublic of Korea department of energy Systems Engineering Chung-Ang UniversitySeoulRepublic of Korea SKKU advanced Institute of Nanotechnology Sungkyunkwan UniversitySuwonGyeonggi-doRepublic of Korea SKKU Institute of energy Science and Technology(SIEST) Sungkyunkwan UniversitySuwonRepublic of Korea School of advanced Materials Science and Engineering Sungkyunkwan UniversitySuwonRepublic of Korea

Lithium-sulfur batteries(LSBs)have drawn significant attention owing to their high theoretical discharge capacity and energy ***,the dissolution of long-chain polysulfides into the electrolyte during the charge and discharge process(“shuttle effect”)results in fast capacity fading and inferior electrochemical *** this study,Mn_(2)O_(3)with an ordered mesoporous structure(OM-Mn_(2)O_(3))was designed as a cathode host for LSBs via KIT-6 hard templating,to effectively inhibit the polysulfide shuttle ***-Mn_(2)O_(3)offers numerous pores to confine sulfur and tightly anchor the dissolved polysulfides through the combined effects of strong polar-polar interactions,polysulfides,and sulfur chain *** OM-Mn_(2)O_(3)/S composite electrode delivered a discharge capacity of 561 mAh g^(-1) after 250 cycles at 0.5 C owing to the excellent performance of OM-Mn_(2)O_(3).Furthermore,it retained a discharge capacity of 628mA h g^(-1) even at a rate of 2 C,which was significantly higher than that of a pristine sulfur electrode(206mA h g^(-1)).These findings provide a prospective strategy for designing cathode materials for high-performance LSBs.

关键词： host material lithium-sulfur battery ordered mesoporous structure shuttle effect transition-metal oxides

Halogen-bond induced unusual polyhalogen anions formation in hydrogen-bonded frameworks to secure iodine sequestration

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Nano Research 2024年第7期17卷 6766-6772页

作者： Yi Xie Pengling Huang Qiang Gao Shiyu Wang Jianchen Wang Gang Ye Collaborative Innovation Center of advanced Nuclear energy Technology Institute of Nuclear and New Energy TechnologyTsinghua UniversityBeijing 100084China

Safe confinement of fission iodine isotopes for long-term radioactive waste disposal remains a formidable challenge,as conventional sorbents provide inherently weak iodine-host *** report here a novel halogen bond(X-bond)directed strategy to sequester volatile iodine in hydrogen-bonded(H-bonded)frameworks with unprecedented ***-assisted Hbonded frameworks bearing open halide sites are developed,showing distinctive iodine encapsulation behaviors without compromising the *** crystallographic evidence indicates the formation of X-bonds,i.e.,I–I···Cl^(−) and I–I···Br^(−),within the confined pore *** polyhalogen anions,i.e.,[I_(2)Cl_(2)]^(2−)and[I_(2)Br_(2)]^(2−),sustained in H-bonded frameworks are identified for the first *** X-bond reinforced host-guest interaction affords robust iodine trapping without leaking out even at elevated temperatures up to 180℃.By integrating the halogen-bond chemistry with H-bonded frameworks,this study offers fresh concepts for developing effective host reservoirs to secure fission iodine isotopes from spent fuel reprocessing off-gases.

关键词： halogen-bond chemistry anion coordination chemistry hydrogen-bonded organic frameworks polyhalogen anions iodine confinement

ZnO Additive Boosts Charging Speed and Cycling Stability of Electrolytic Zn–Mn Batteries

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Nano-Micro Letters 2024年第4期16卷 293-304页

作者： Jin Wu Yang Tang Haohang Xu Guandie Ma Jinhong Jiang Changpeng Xian Maowen Xu Shu‑Juan Bao Hao Chen Institute for Clean energy&advanced Materials School of Materials and EnergySouthwest UniversityChongqing 400715People’s Republic of China

Electrolytic aqueous zinc-manganese(Zn–Mn) batteries have the advantage of high discharge voltage and high capacity due to two-electron reactions. However, the pitfall of electrolytic Zn–Mn batteries is the sluggish deposition reaction kinetics of manganese oxide during the charge process and short cycle life. We show that, incorporating ZnO electrolyte additive can form a neutral and highly viscous gel-like electrolyte and render a new form of electrolytic Zn–Mn batteries with significantly improved charging capabilities. Specifically, the ZnO gel-like electrolyte activates the zinc sulfate hydroxide hydrate assisted Mn^(2+) deposition reaction and induces phase and structure change of the deposited manganese oxide(Zn_(2)Mn_(3)O_8·H_(2)O nanorods array), resulting in a significant enhancement of the charge capability and discharge efficiency. The charge capacity increases to 2.5 mAh cm^(-2) after 1 h constant-voltage charging at 2.0 V vs. Zn/Zn^(2+), and the capacity can retain for up to 2000 cycles with negligible attenuation. This research lays the foundation for the advancement of electrolytic Zn–Mn batteries with enhanced charging capability.

关键词： Electrolytic aqueous zinc-manganese batteries Electrolyte pH value ZnO electrolyte additive Fast constant-voltage charging ability

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CFD-DEM simulation of high density particles fluidization behaviors in 3D conical spouted beds

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Particuology 2024年第5期88卷 266-281页

作者： Lin Jiang Mofan Qiu Rongzheng Liu Bing Liu Youlin Shao Malin Liu Institute of Nuclear and New energy Technology Collaborative Innovation Center of Advanced Nuclear Energy TechnologyTsinghua UniversityBeijing 100084China

The spouted bed has been used in the coating process of high-density nuclear fuel *** particle fluidization behaviors in pseudo-2D and 3D spouted beds were simulated and *** effects of four independent variables(cone angle,particle density,inlet gas velocity,and particle loading)on particle fluidization behaviors in the 3D spouted bed were investigated *** cone angle effect on fluidization mechanism was studied quantitatively first time.A new fluidization quality index was proposed based on the particle entrainment principle,and an extreme value was obtained when the cone angle was 60°,considered to be the optimum value for the 3D conical spouted *** was indicated the gas–solid contact efficiency can be kept up if the gas velocity was proportional to ρ_(p)^(0.65) and N_(p)^(0.78) when the particle density or loading was *** results will be useful for geometry and operation parameters design of the 3D conical spouted bed and helpful for developing the fluidization mechanism of high-density particles.

关键词： Spouted bed High-density particle CFD-DEM Fluidization quality index Particle loading

CFD-DEM simulation of fluorination reaction in fluidized beds with local grid and time refinement method

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Particuology 2024年第1期84卷 145-157页

作者： Mofan Qiu Lin Jiang Rongzhen Liu Yaping Tang Malin Liu Institute of Nuclear and New energy Technology Collaborative Innovation Center of Advanced Nuclear Energy TechnologyTsinghua UniversityBeijing100084China

The gas-solid reaction process with wide particle size distribution is extensively used in the chemical engineering field,especially the particle reacts with the gas gradually,such as fluorination reactions in fluidized *** the computational fluid dynamics-discrete element method(CFD-DEM)is used for the coupling simulation of multiphase and polydisperse particle reaction system,the grid size directly affects the accuracy of flow field information and simulation of chemical ***,particle calculation time step will directly affect the efficiency of coupling *** this work,a local grid and time step refinement method is proposed to simulate multiphase and polydisperse particle fluid-ization reaction *** this method,the refined DEM grids are automatically generated in the computational domain around the fine particles,and the detailed fluid phase information is obtained with the interpolation *** the two-phase coupling process,particles are divided into different groups based on physical properties,each group has its own independent time *** multistage conical-cylindrical spouted bed is proposed for the fluorination reaction process;the operating gas ve-locity range of the polydisperse particle system is extended by the new design while the particle size distribution changes with the gas-solid reaction *** is demonstrated that the local grid and time step refinement method can improve the accuracy and efficiency of the traditional CFD-DEM method in the reaction process simulation,which describes a polydisperse particle system with wide particle size *** at improving the simulation accuracy and efficiency,this paper will be helpful for simulating the particle reaction process in the gas-solid fluidized bed and beneficial for the development of the CFD-DEM method.

关键词： CFD-DEM Polydisperse particle Two-phase flow Fluidized bed