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Rare Metals 2024年第6期43卷 2623-2635页

作者： Fei-Fan Hong Wei-Tao Shi Ruo-Lin Zhao Yi Fan Zi-Qi Liu Si-Zhi Ding Hai-Zhen Liu Wen-Zheng Zhou Jin Guo Zhi-Qiang Lan guangxi novel battery materials research center of engineering technology and center on nanoenergy research Guangxi Colleges and Universities Key Laboratory of Blue Energy and Systems IntegrationCarbon Peak and Neutrality Science and Technology Development InstituteSchool of Physical Science and TechnologyGuangxi UniversityNanning 530004China Nanning engineering technology research center for Power Transmission System of New Energy Vehicle Transportation CollegeNanning UniversityNanning 530200China

Herein,the successful preparation of a singleatom catalyst V-N-C using vanadium-doped zeolitic imidazolate framework(ZIF)-8 as a precursor is *** experimental results showed that the V-N-C had a good promoting effect on the hydrogen storage performance of MgH_(2),and the optimal addition amount of V-N-C was 10wt%.The hydrogenation and dehydrogenation apparent activation energies of 10 wt%V-N-C-catalyzed MgH_(2)were reduced by 44.9 and 53.5 kJ·mol^(-1),respectively,compared to those of additive-free MgH_(2).The 10 wt%V-N-C-catalyzed MgH_(2)could reabsorb 5.92 wt%of hydrogen in 50 min at 150℃,with a capacity retention rate of 99.1%after 30 cycles of hydrogen absorption and *** analysis showed that V-N-C was partially transformed into VN and metallic V when it was milled with MgH_(2);the in-situ-formed VN and metallic V played an important role in improving the hydrogen storage performance of MgH_(2).This approach provides a potential solution for obtaining high-performance Mg-based hydrogen storage materials through synergistic interactions between V,N and C.

关键词： MgH_(2) Hydrogen storage materials Catalyst Hydrogen storage perormance

Steric hindrance modulation of hexaazatribenzanthraquinone isomers for high-capacity and wide-temperature-range aqueous proton battery

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National Science Review 2024年第4期11卷 271-282页

作者： Mingsheng Yang Yuxin Hao Bei Wang Yan Wang Liping Zheng Rui Li Huige Ma Xinyu Wang Xiaoming Jing Hongwei Li Mengxiao Li Zhihui Wang Yujie Dai Guangcun Shan Mingjun Hu Jun Luo Jun Yang School of materials Science and engineering Beihang University Beijing Institute of nanoenergy &Nanosystems Chinese Academy of Sciences center on nanoenergy research School of Physical Science & TechnologyGuangxi University School of Chemistry and Chemical engineering Center on Nanoenergy Research Guangxi University School of Instrumentation Science and Opto-electronics engineering Beihang University ShenSi Lab Shenzhen Institute for Advanced StudyUniversity of Electronic Science and Technology of China

Organic materials with rich active sites are good candidates of high-capacity anodes in aqueous batteries,but commonly low utilization of active sites limits their ***,two isomers,symmetric and asymmetric hexaazatribenzanthraquinone（s-HATBAQ and a-HATBAQ）,with rich active sites have been synthesized in a controllable *** has been revealed for the first time that a sulfuric acid catalyst can facilitate the stereoselective formation of *** to the reduced steric hindrance in favor of proton insertion as well as the amorphous structure conducive to electrochemical dynamics,s-HATBAQ exhibits 1.5 times larger specific capacity than ***,the electrode of s-HATBAQ with50% reduced graphene oxide（s-HATBAQ-50%rGO） delivers a record high specific capacity of405 mAh g-1in ***,the assembled MnO2//s-HATBAQ-50%rGO aqueous proton full batteries show an exceptional cycling stability at 25℃ and can maintain ～92% capacity after1000 cycles at 0.5 A g-1at-80℃.This work demonstrates the controllable synthesis of isomers,showcases a wide-temperature-range prototype proton battery and highlights the significance of precise mole cular structure modulation in organic energy storage.

关键词： stereoisomers steric effect aqueous battery super cycling stability ultra-low temperature proton battery

Inclusion of CoTiO_(3) to ameliorate the re/dehydrogenation properties of the Mg–Na–Al system

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Journal of Magnesium and Alloys 2024年第3期12卷 1215-1226页

作者： N.A.Ali N.Y.Yusnizam N.A.Sazelee Sami-ullah Rather Haizhen Liu M.Ismail Energy Storage research Group Faculty of Ocean Engineering TechnologyUniversiti Malaysia Terengganu21030 Kuala NerusTerengganuMalaysia Department of Chemical and materials engineering King Abdulaziz UniversityP.O.Box80204Jeddah 21589Saudi Arabia guangxi novel battery materials research center of engineering technology School of Physical Science and TechnologyGuangxi UniversityNanning 530004China State Key Laboratory of Featured Metal materials and Life-Cycle Safety for Composite Structures Nanning 530004China

For the first time,the MgH_(2)–NaAlH_(4)(ratio 4:1)destabilized system with CoTiO_(3) addition has been *** CoTiO_(3)-doped MgH_(2)–NaAlH_(4) sample begins to dehydrogenate at 130℃,which is declined by 40℃ compared to the undoped MgH_(2)–NaAlH_(4).Moreover,the de/rehydrogenation kinetics characteristics of the CoTiO_(3)-doped MgH_(2)–NaAlH_(4) were greatly *** the inclusion of CoTiO_(3),the MgH_(2)–NaAlH_(4) composite absorbed 5.2 wt.%H_(2),higher than undoped MgH_(2)–NaAlH_(4).In the context of dehydrogenation,the CoTiO_(3)-doped MgH_(2)–NaAlH_(4) sample desorbed 2.6 wt.%H_(2),almost doubled compared to the amount of hydrogen desorbed from the undoped MgH_(2)–NaAlH_(4) *** activation energy obtained by the Kissinger analysis for MgH_(2) decomposition was significantly lower by 35.9 kJ/mol than the undoped MgH_(2)–NaAlH_(4) *** reaction mechanism demonstrated that new phases of MgCo and AlTi_(3) were generated in situ during the heating process and are likely to play a substantial catalytic function and be useful in ameliorating the de/rehydrogenation properties of the destabilized MgH_(2)–NaAlH_(4) system with the inclusion of CoTiO_(3).

关键词： Destabilize system Magnesium hydride Sodium alanate Hydrogen storage Additive.

Layered niobium carbide enabling excellent kinetics and cycling stability of Li-Mg-B-H hydrogen storage material Layered niobium carbide enabling excellent kinetics

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Rare Metals 2024年第3期43卷 1153-1166页

作者： Li-Wen Lu Hui Luo Guang-Xu Li Yun Li Xin-Hua Wang Cun-Ke Huang Zhi-QiangLan Wen-Zheng Zhou Jin Guo Mohammad Ismail Hai-Zhen Liu guangxi novel battery materials research center of engineering technology Guangxi Colleges and Universities Key Laboratory of Blue Energy and Systems IntegrationSchool of Physical Science and TechnologyGuangxi UniversityNanning530004China State Key Laboratory of Featured Metal materials and Life-Cycle Safety for Composite Structures Nanning530004China School of Mechanical and Electrical engineering Quzhou College of TechnologyQuzhou324000China Department of materials Science and engineering Zhejiang UniversityHangzhou310027China Faculty of Ocean engineering technology and Informatics Universiti Malaysia Terengganu21030Kuala NerusTerengganuMalaysia Key Laboratory of Advanced Energy materials Chemistry(Ministry of Education) Nankai UniversityTianjin300071China

The Li-Mg-B-H composite(2LiBH_(4)+MgH_(2))has a high capacity of 11.4 wt%as a hydrogen storage ***,the slow kinetics and poor cycling stability severely restrict its practical *** this work,a layered Nb_(2)C MXene was first synthesized and then introduced to tailor the kinetics and cycling stability of the Li-Mg-B-H *** milled 2LiH+MgB_(2)composites were initially hydrogenated to obtain the 2LiBH_(4)+MgH_(2)*** 2LiBH_(4)+MgH_(2)+5wt%Nb_(2)C can release 9.0 wt%H_(2)in 30 min at 400℃,while it is only 2.7 wt%for the undoped 2LiBH_(4)+MgH_(2).The dehydrogenation activation energies of MgH_(2)and LiBH_(4)are 123 and 154 kJ·mol^(-1)respectively for the 5 wt%Nb_(2)C-doped composite,lower than the undoped composite(164 and 165 kJ·mol^(-1)).The 2LiBH_(4)+MgH_(2)+5 wt%Nb_(2)C possesses excellent cycling stability,with the reversible capacity only slightly reduced from 9.4 wt%for the 1st cycle to 9.3 wt%for the 20th ***_(2)C keeps stable in the composite and acts as an efficient catalyst for the Li-Mg-B-H *** is believed that both the layered structure and the active Nb element contribu te to the enhanced hydrogen storage performances of the Li-Mg-B-H *** work confirms that the Nb_(2)C MXene with layered stru cture has a significant enhancing impact on the Li-Mg-B-H hydrogen storage materials,which is different from the bulk NbC.

关键词： Hydrogen storage Lithium borohydride Magnesium hydride Nb_(2)C MXene

Efficient piezo-catalytic dye degradation using piezoelectric 6H-SiC under harsh conditions

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Rare Metals 2024年第7期43卷 3173-3184页

作者： Lin-Lin Zhou Tao Yang Kang Wang Lai-Pan Zhu En-Hui Wang Kuo-Chih Chou Hai-Long Wang Xin-Mei Hou Institute for Carbon Neutrality University of Science and Technology Beijing Institute of Steel Sustainable technology Liaoning Academy of Materials Beijing Institute of nanoenergy and Nanosystems Chinese Academy of Sciences School of materials Science engineering Zhengzhou University Beijing Advanced Innovation center for materials Genome engineering Beijing University of Science and Technology

The development of novel piezoelectric catalysts against harsh conditions is indeed crucial for improving the piezo-catalytic degradation efficiency of colored organic dyes in *** this work,6H-SiC nanoparticles（NPs） are utilized to piezo-catalytic degrade rhodamine B（RhB） and methylene blue（MB） under ultrasonic vibration for the first *** degradation efficiency of RhB and MB reaches 98.8% and 98.7%within 80 *** piezoelectricity of 6H-SiC is comprehensively analyzed by the piezoresponse force microscope（PFM） and finite element method（FEM）.The strong oxidizing active free radicals generated by the continuous piezoelectric polarized electric field of 6H-SiC,i.e.,·O2-and·OH,induce the decomposition reactions of colored organic dyes in *** the dyes are proven to degrade to harmless or less-harmful products gradually during the piezo-catalysis process by high-performance liquid chromatography tandem mass spectrometry（HPLC-MS）.Moreover,RhB is also decomposed efficiently by 6HSiC NPs under acidic and alkaline *** results prove the feasibility of 6H-SiC for decomposing common water pollutants under harsh conditions and provide a new perspective for water purification.

关键词： Piezo-catalytic degradation 6H-SiC Rhodamine B (RhB) Methylene blue (MB) Harsh conditions

Temperature inversion enables superior stability for low-temperature Zn-ion batteries

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Journal of Energy Chemistry 2024年第4期91卷 245-253页

作者： Fu-Da Yu Zhe-Jian Yi Rui-Yang Li Wei-Hao Lin Jie Chen Xiao-Yue Chen Yi-Ming Xie Ji-Huai Wu Zhang Lan Lan-Fang Que Bao-Sheng Liu Hao Luo Zhen-Bo Wang engineering research center of Environment-Friendly Functional materials Ministry of EducationInstitute of Materials Physical ChemistryHuaqiao UniversityXiamen 361021FujianChina b2 School of Electronic engineering Guangxi University of Science and TechnologyLiuzhou 545006GuangxiChina School of materials Science and engineering Xiamen University of TechnologyXiamen 361024FujianChina School of materials Science and engineering Zhengzhou UniversityZhengzhou 450001HenanChina MIIT Key Laboratory of Critical materials technology for New Energy Conversion and Storage State Key Laboratory of Space Power-SourcesSchool of Chemistry and Chemical EngineeringHarbin Institute of TechnologyHarbin 150001HeilongjiangChina College of materials Science and engineering Shenzhen UniversityShenzhen 518071GuangdongChina

It is challenging for aqueous Zn-ion batteries(ZIBs)to achieve comparable low-temperature(low-T)performance due to the easy-frozen electrolyte and severe Zn ***,an aqueous electrolyte with a low freezing point and high ionic conductivity is *** with molecular dynamics simulation and multi-scale interface analysis(time of flight secondary ion mass spectrometry threedimensional mapping and in-situ electrochemical impedance spectroscopy method),the temperature independence of the V_(2)O_(5)cathode and Zn anode is observed to be ***,dominated by the solvent structure of the designed electrolyte at low temperatures,vanadium dissolution/shuttle is significantly inhibited,and the zinc dendrites caused by this electrochemical crosstalk are greatly relieved,thus showing an abnormal temperature inversion *** the disclosure and improvement of the above phenomena,the designed Zn||V_(2)O_(5)full cell delivers superior low-T performance,maintaining almost 99%capacity retention after 9500 cycles(working more than 2500 h)at-20°*** work proposes a kind of electrolyte suitable for low-T ZIBs and reveals the inverse temperature dependence of the Zn anode,which might offer a novel perspective for the investigation of low-T aqueous battery systems.

关键词： Aqueous Zn-ion batteries Low-temperature performance Opposite temperature dependence Zndendrite growth Vanadium dissolution

MOF and its derivative materials modified lithium-sulfur battery separator:a new means to improve performance

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Rare Metals 2024年第6期43卷 2418-2443页

作者： Rong-Wei Huang Yong-Qi Wang Dan You Wen-Hao Yang Bin-Nan Deng Fei Wang Yue-Jin Zeng Yi-Yong Zhang Xue Li National Local Joint engineering research center for Lithium-Ion Batteries and materials Preparation technology Key Laboratory of Advanced Batteries Materials of Yunnan ProvinceFaculty of Metallurgical and Energy EngineeringKunming University of Science and TechnologyKunming 650093China State Key Laboratory of Physical Chemistry of Solid Surfaces Collaborative Innovation Centre of Chemistry for Energy MaterialsState-Province Joint Engineering Laboratory of Power Source Technology for New Energy VehicleEngineering Research Center of Electrochemical TechnologyMinistry of EducationCollege of Chemistry and Chemical EngineeringXiamen UniversityXiamen 361005China

In recent years,lithium-sulfur batteries(LSBs)are considered as one of the most promising new generation energies with the advantages of high theoretical speeific capacity of sulfur(1675 mAh·g^(-1)),abundant sulfur resources,and environmental friendliness storage technologies,and they are receiving wide attention from the ***,the problems of the shuttle effect and lithium dendrite growth in LSBs have limited their practical application,so there is a need to find ways to solve these *** is an excellent choice to use novel materials to modify battery *** those novel materials,the metal-organic framework(MOF)has the properties of regular pores and controllable *** applied as a positive electrode and diaphragm,it can restrain the shuttle effect and lithium dendrite growth,especially since it shows excellent performance in diaphragm ***,various design strategies and synthesis methods of MOF-modified separators are reviewed in this paper,and the applications of MOF in LSBs separators in different forms are introduced,including the composite of MOF and carbon-based materials,the compounding of MOF and polymer,self-carbonization to form MOF-derived *** the same time,different characterization techniques are systematically reviewed to obtain the physical and chemical properties of MOF particles and the working mechanism of MOF-modified diaphragm,which provides a basis for further research in this ***,some future research trends and directions are put forward to fully tap the future commercial potential of MOF-modified diaphragm in LSBs.

关键词： MOF Lithium-sulfur battery Modified diaphragms Design strategies Prospect Characterization

Nitric oxide assists nitrogen reduction reaction on 2D MBene: A theoretical study

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Chinese Chemical Letters 2024年第5期35卷 428-433页

作者： Chaozheng He Jia Wang Ling Fu Wei Wei Henan engineering center of New Energy battery materials College of Chemistry and Chemical EngineeringShangqiu Normal UniversityShangqiu 476000China School of Chemistry and Chemical engineering Shandong Provincial Key Laboratory/Collaborative Innovation Center of Chemical Energy Storage&Novel Cell TechnologyLiaocheng UniversityLiaocheng 252059China Institute of Environment and Energy Catalysis Shaanxi Key Laboratory of Optoelectronic Functional Materials and DevicesSchool of Materials Science and Chemical EngineeringXi’an Technological UniversityXi’an 710021China College of Resources and Environmental engineering Tianshui Normal UniversityTianshui 741001China

Electrocatalytic synthesis of ammonia as an environment-friendly and sustainable development method has received widespread attention in recent ***-dimensional(2D)materials are a promising catalyst for ammonia synthesis due to their large surface *** this work,we have constructed a series of 2D metal borides(MBenes)with transition metal(TM)defects(TMd-MBenes)and comprehensively calculated the reactivity of electrocatalytic synthesis of ammonia-based on density functional *** results have demonstrated that the TMd-MBenes can effectively activate nitrogen oxide(NO)and nitrogen(N2)molecules *** interesting,the co-chemisorption of O atoms,dissociated from NO,can facilitate the spilled of the inert N2 molecules into single N atoms,which can further hydrogenate into ammonia easily with an ultralow limiting potential of 0.59 V on *** research has not only provided clues for catalyst design for experimental study but also paved the way for the industrial application of electrocatalytic ammonia synthesis.

关键词： 2D mbenes Nitrogen electro-reduction DFT N_(2)activation Ammonia synthesis

From atomistic modeling to materials design:computation-driven material development in lithium-ion batteries

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Science China Chemistry 2024年第1期67卷 276-290页

作者： Xiangrong Li Xiang Chen Qiang Bai Yifei Mo Yizhou Zhu research center for Industries of the Future and School of engineering Westlake UniversityHangzhou 310030China Department of Chemical engineering Tsinghua UniversityBeijing 100084China College of materials Science and engineering Taiyuan University of TechnologyTaiyuan 030024China Department of materials Science and engineering University of MarylandCollege Park 20742United States

As an advanced energy storage system,lithium-ion batteries play an essential role in modern *** their ubiquitous success,there is a great demand for continuous improvements of the battery performance,including higher energy density,lower safety risk,longer cycling life,and lower *** performance improvement requires the design and development of novel electrode and electrolyte materials that exhibit desirable properties and satisfy strict *** modeling can provide a unique perspective to fundamentally understand and rationally design battery *** this paper,we review a few recent successful examples of computation-driven discovery and design in electrode and electrolyte ***,we highlight how atomistic modeling can reveal the underlying mechanisms,predict the important properties,and guide the design and engineering of electrode and electrolyte *** have a conclusion with a discussion of the unique capability of atomistic modeling in battery material development and provide a perspective on future challenges and directions for computation-driven battery material developments.

关键词： materials design computation modeling batteries electrolyte electrode

A novel order-reduced thermal-coupling electrochemical model for lithium-ion batteries

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Chinese Physics B 2024年第5期33卷 637-654页

作者：谢奕展王舒慧王震坡程夕明 School of Mechanical engineering Beijing Institute of TechnologyBeijing 100081China National engineering research center for Electric Vehicles Beijing Institute of TechnologyBeijing 100081China The Hong Kong University of Science and technology (Guangzhou) Sustainable Energy and Environment Thrust and Guangzhou MunicipalKey Laboratory of Materials InformaticsGuangzhou 511400China

Although the single-particle model enhanced with electrolyte dynamics(SPMe)is simplified from the pseudo-twodimensional(P2D)electrochemical model for lithium-ion batteries,it is difficult to solve the partial differential equations of solid–liquid phases in real-time ***,working temperatures have a heavy impact on the battery ***,a thermal-coupling SPMe is ***,a lumped thermal model is established to estimate battery *** order of the SPMe model is reduced by using both transfer functions and truncation techniques and merged with Arrhenius equations for thermal *** polarization voltage drop is then modified through the use of test data because its original model is unreliable ***,the coupling-model parameters are extracted using genetic *** results demonstrate that the proposed model produces average errors of about 42 mV under 15 constant current conditions and 15 mV under nine dynamic conditions,*** new electrochemicalthermal coupling model is reliable and expected to be used for onboard applications.

关键词： lithium-ion batteries order-reduced electrochemical models SPMe thermal-coupling model transient polarization voltage drop