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Journal of energy Chemistry 2024年第7期94卷 568-576页

作者： Guntae Lim Dong Guk Kang Hyeon Gyu Lee Yen Hai Thi Tran Kihun An Junghyun Choi Kwang Chul Roh Do Youb Kim Seung-Wan Song Department of Chemical engineering&Applied Chemistry Chungnam national University Daejeon 34134Republic of Korea energy storage materials center Korea Institute of Ceramic Engineering&TechnologyJinju 52851Republic of Korea advanced energy materials research center Korea Research Institute of Chemical TechnologyDaejeon 34114Republic of Korea

Incorporation of higher content Si anode material beyond 5 wt% to Li-ion batteries(LIBs)is challenging,owing to large volume change,swelling,and solid electrolyte interphase(SEI)instability ***,a strategy of diacetoxydimethylsilane(DAMS)additive-directed SEI stabilization is proposed for a stable operation of Si-0.33FeSi_(2)(named as Si-Fe)anode without graphite,which provides siloxane inorganics and organics enrichment that compensate insufficient passivation of fluoroethylene carbonate(FEC)additive and reduce a dependence on *** stable cycling performance of highly loaded(3.5 mA h cm^(-2))pure Si-Fe anode is achieved with 2 wt%DAMS combined with 9 wt%FEC additives under ambient pressure,yielding high capacity 1270 mA h g^(-1)at 0.5 C and significantly improved capacity retention of 81% after 100 cycles,whereas short circuit and rapid capacity fade occur with FEC only ***-directed robust SEI layer dramatically suppresses swelling and particles crossover through separator,and therefore prevents short circuit,demonstrating a possible operation of pure Si or Sidominant anodes in the next-generation high-energy-density and safe LIBs.

关键词： High-energy Li-ion battery Pure Si-Fe anode without graphite Silane additive SEI layer Suppressed swelling

A perspective on the key factors of safety for rechargeable magnesium batteries

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Journal of energy Chemistry 2024年第7期94卷 656-676页

作者： Shuangshuang Tan Jie Xu Rongrui Deng Qiannan Zhao Chaohe Xu Guangsheng Huang Jingfeng Wang Fusheng Pan national engineering research center for Magnesium Alloys Chongqing UniversityChongqing 400044China national Innovation center for Industry-Education Integration of energy storage Technology College of Materials Science and EngineeringChongqing UniversityChongqing 400044China Chongqing Institute of New energy storage materials and Equipment Chongqing 401135China

Rechargeable Mg batteries(RMBs)have become one of the best subsitutes for lithium-ion batteries due to the high volumetric capacity,abundant resources,and uniform plating behavior of Mg metal ***,the safety hazard induced by the formation of high-modulue Mg dendrites under a high current density(10 mA cm^(-1))was still revealed in recent *** has forced researchers to re-examine the safety of *** this review,the intrinsic safety factors of key components in RMBs,such as uneven plating,pitting and flammability of Mg anode,heat release and crystalline water decomposition of cathode,strong corrosion,low oxidition stability and flammability of electrolytes,and soforth,are systematacially *** origins,formation mechanisms,and possible safety hazards are deeply *** develop high-performance Mg anode,current strategies including designing artificial SEI,three-dimensional substrates,and Mg alloys are *** practical electrolytes,the configurations of boron-centered anions and simple Mg salts and the functionalized solvent with high boiling point and low flammability are suggested to comprehensively *** addition,the future study should more focus on the investigation on the thermal runaway and decomposition of cathode materials and *** review aims to provide fundamental insights into the relationship between electrochemistry and safety,further promoting the sustainable development of RMBs.

关键词： Rechargeable Mg batteries Battery safety Mg dendrites Electrolyte decomposition Intrinsic safety issues

Progress in processing of porous titanium:a review

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Rare Metals 2024年第5期43卷 1932-1955页

作者： Xiao-Li Yang Xian-Feng Du Zhi-Lin Xu Zhong-Shuai Liang Li-Long Xiong engineering research center of energy storage materials and Devices Ministry of EducationSchool of ChemistryXi'an Jiaotong UniversityXi'an 710049China

As a novel structural and functional material,porous titanium and its alloys have been widely used in the aerospace,marine engineering and biomedical fields due to their high corrosion resistance,low density,good biocompatibility and excellent mechanical ***,in this paper,a comprehensive review of powder metallurgy(PM)(including additive manufacturing(AM)processes)for fabricating porous titanium is firstly covered in terms of their working principles,capabilities,shortcomings and ***,the influencing factors of various methods on final pore structure of porous Ti are ***,a summary of the chemical methods(CM)to obtain the porous Ti is also provided,such as dealloying method and reduction ***,the tendency and direction of preparation technology as well as application of porous titanium were prospected.

关键词： Porous titanium Powder metallurgy Chemical method Pore structure Processing process

Thermodynamics-directed bulk/grain-boundary engineering for superior electrochemical durability of Ni-rich cathode

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Journal of energy Chemistry 2024年第10期97卷 321-331页

作者： Kangyu Zou Mingzhu Jiang Tianxiang Ning Lei Tan Junchao Zheng Jiexi Wang Xiaobo Ji Lingjun Li School of materials Science and engineering Changsha University of Science and Technology School of Metallurgy and Environment Central South University national engineering research Centre of advanced energy storage materials College of Chemistry and Chemical engineering Central South University

Introducing high-valence Ta element is an essential strategy for addressing the structu ral deterioration of the Ni-rich LiNi1-x-yCoxMnyO2（NCM） cathode,but the enlarged Li/Ni cation mixing leads to the inferior rate capability originating from the hindered Li+*** that the non-magnetic Ti4+ion can suppress Li/Ni disorder by removing the magnetic frustration in the transition metal ***,it is still challenging to directionally design expected Ta/Ti dual-modification,resulting from the complexity of the elemental distribution and the uncertainty of in-situ formed coating compounds by introducing foreign ***,a LiTaO3grain boundary（GB） coating and bulk Ti-doping have been successfully achieved in LiNi0.834Co0.11Mn0.056O2cathode by thermodynamic guidance,in which the structural formation energy and interfacial binding energy are employed to predict the elemental diffusion discrepancy and thermodynamically stable coating *** to the coupling effect of strengthened structural/interfacial stability and improved Li+diffusion kinetics by simultaneous bulk/GB engineering,the Ta/Ti-NCM cathode exhibits outstanding capacity retention,reaching 91.1% after 400 cycles at 1 *** elaborate work contributes valuable insights into rational dual-modification engineering from a thermodynamic perspective for maximizing the electrochemical performances of NCM cathodes.

关键词： Bulk doping Dual-modification Grain boundary coating Ni-rich layered cathode Thermodynamic perspective

ZnO/ZnS heterostructure in N-doped porous carbon for anchoring-diffusion-conversion of polysulfides for high-performance lithium-sulfur batteries

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Rare Metals 2024年第8期43卷 3661-3676页

作者： Fei Wang Rong-Wei Huang Wen-Chang Han Chun-Man Yang Wen-Hao Yang Peng Dong Chao-Ling Wu Yi-Yong Zhang Xue Li Ying-Jie Zhang national Local Joint engineering research center for LithiumIon 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 engineering research center of Alternative energy materials and Devices Sichuan UniversityMinistry of EducationChengdu 610065China

The shuttle effect of polysulfides is one of the key factors hindering the commercialization of lithiumsulfur batteries(LSBs).Owing to their high conductivity and advantageous structure,heterostructures can be used in sulfur fixation and catalysis of *** this study,a flower-shaped ZnO/ZnS heterostructure on a nitrogendoped porous carbon(NPC) sulfur host was *** ZnO/ZnS heterostructure regulates the electronic structure of the material and exhibits higher metal-like ***,the ZnO/ZnS heterostructure combines the strong adsorption property of ZnO and the high catalytic ability of ZnS to realize the anchoring-diffusionconversion of lithium poly sulfides(LiPSs).Results reveal that the developed ZnO/ZnS@NPC/S cathode has excellent electrochemical performance in LSBs,achieving a high discharge specific capacity of 1365.3 mAh·g^(-1) at 0.1C and excellent rate capability(719 mAh·g^(-1) at 2C;the capacity decay rate is only 0.042% per cycle after 1000 cycles).Even under a high sulfur loading-E/S(electrolyte/sulfur)ratio of 5.1 mg·cm^(-2)-6 μl·mg^(-1),a high specific capacity of 723.7 mAh·g^(-1) is maintained after 60 *** study provides a new strategy for a multifunctional sulfur host that can effectively alleviate the shuttle effect of LiPSs and improve the utilization of sulfur active substances.

关键词： ZnO/ZnS heterostructure Lithium-sulfur batteries Density functional theory Anchor Conversion

Coupling interface constructions of hollow Co-Mo mixed multiple oxidation states heterostructure for high-performance aprotic Li-O_(2) battery

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Nano research 2024年第5期17卷 4100-4107页

作者： Xingzi Zheng Mengwei Yuan Jingshen Xu Zihan Li Caiyun Nan Genban Sun Beijing Key Laboratory of energy Conversion and storage materials College of ChemistryBeijing Normal UniversityBeijing 100875China center for advanced materials research Beijing Normal UniversityZhuhai 519087China

Constructing interfaces in heterostructures is effective for modulating the electronic properties of *** hollow CoMoO_(4)-Co_(3)O_(4) heterostructure(HCMCH)was prepared as a bifunctional electrocatalyst for Li-O_(2) *** different components in CoMoO_(4)-Co_(3)O_(4) heterostructure presented the efficient coupling and enhanced the electrocatalytic activity for aprotic oxygen reduction reaction(ORR)and oxygen evolution reaction(OER),in which it improved the obviously reduced overpotential of 300 mV(compared with the pure Ketjen black(KB)electrode),enhanced reversibility of 80%capacity retention after 6 full cycles and the superior cyclability of more than 200 cycles with an optimized *** battery performance of the HCMCH was not only associated with the unique hollow structure and rich active sites but also with coupling interface constructions synergetic effects attaching to the improving conductivity and optimized the discharge *** results suggested that this HCMCH electrocatalyst was a promising candidate for the Li-O_(2) battery and it gave a novel insight for high performance electrocatalyst designing.

关键词： Li-oxygen battery heterostructure electrocatalyst coupling interface

Exceptional catalytic effect of novel rGO-supported Ni-Nb nanocomposite on the hydrogen storage properties of MgH_(2)

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Journal of materials Science & Technology 2024年第5期172卷 83-93页

作者： Samuel Guemou Liuting Zhang Shuai Li Yiqun Jiang Tao Zhong Zichuan Lu Ren Zhou Fuying Wu Qian Li School of energy and Power Instrumental Analysis CenterJiangsu University of Science and TechnologyZhenjiang 212003China national engineering research center for Magnesium Alloys&national Key Laboratory of advanced Casting Technologies&College of materials Science and engineering Chongqing UniversityChongqing 400044China Chongqing Institute of New energy storage materials and Equipment Chongqing 401135China Max Planck Institute for Iron research Düsseldorf 40237Germany

The design of an excellent active catalyst to improve the sluggish kinetic and thermodynamic properties of magnesium hydride(MgH_(2))remains a great challenge to achieve its practical *** this study,a novel Ni-Nb/rGO nanocomposite catalyst was successfully prepared by one-spot hydrothermal and sub-sequent calcination *** novel Ni-Nb/rGO nanocomposite exhibits an exceptional catalytic effect on improving MgH_(2) sorption ***,the onset desorption temperature of MgH_(2)+10 wt%Ni-Nb/rGO composite is reduced to 198℃,much lower than that of undoped MgH_(2)(330℃).In-terestingly,the composite can release 5.0,5.9,and 6.0 wt%H_(2) within 10 min at 245,260,and 275℃,***,the dehydrogenated MgH_(2)+10 wt%Ni-Nb/rGO composite starts to absorb hydrogen even at room temperature with approximate 2.75 wt%H_(2) uptake at 75℃under 3 MPa H_(2) pressure within 30 min and exhibits excellent stability by maintaining 6.0 wt%hydrogen content after 20 cycles at 300℃.Chou’s model suggests that the de/hydrogenation kinetics of Ni-Nb/rGO-modified MgH_(2) switches from surface penetration model to diffusion model at lower ***,the ac-tivation energies(E a)for the de/hydrogenation of MgH_(2)+10 wt%Ni-Nb/rGO are reduced to 57.8 kJ/mol and 33.9 kJ/mol,which are significantly lower than those of undoped MgH_(2).The work demonstrates that the addition of a novel ternary Ni-Nb/rGO catalyst is an effective strategy to not only boost the sorption kinetics of MgH_(2) but also maintain its cycling property.

关键词： Hydrogen storage materials Magnesium hydride Ni-Nb/rGO Kinetic analysis Catalytic mechanism

Membrane-less MoO_(3-x)@TiO_(2)-bromine battery with excellent rate capability and cyclic stability

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Journal of energy Chemistry 2024年第6期93卷 316-321,I0008页

作者： Wenjie Huang Hui Wang Bin Yuan Liuzhang Ouyang Lichun Yang Min Zhu School of materials Science and engineering Guangdong Provincial Key Laboratory of Advanced Energy Storage MaterialsSouth China University of TechnologyGuangzhou 510640GuangdongChina

Bromine has attracted significant attention as a cathode material for aqueous batteries due to its high reduction potential of 1.05 V(Br_(3)^(-)+2e~-■3Br~-),impressive theoretical specific capacity of 223 mA h g^(-1),and rapid reaction kinetics in the ***,searching for compatible anode materials to match with bromine has posed a challenge due to its highly corrosive *** this study,we developed oxygen-deficient MoO_(3) with TiO_(2) coating(referred to as MoO_(3-x)@TiO_(2))as an anode material to pair with a bromine cathode in static full *** oxygen deficiency contributes to enhanced electronic and protonic diffusion within the MoO_(3-x)lattice,while the TiO_(2) coating mitigates structural dissolution and proton trapping during *** MoO_(3-x)@TiO_(2) demonstrates fast charge storage kinetics and excellent resistance to bromine *** impressive compatibility between MoO_(3-x)@TiO_(2) and bromine enables the construction of membrane-less full batteries with exceptional rate capability and cyclic *** MoO_(3-x)@TiO_(2)-bromine battery achieves an energy density of70.8 W h kg^(-1)at a power density of 328.1 W kg^(-1),showcasing an impressive long-term cyclic life of 20,000 *** study provides valuable insights for the development of high-performance aqueous secondary batteries.

关键词： Molybdenum trioxide Oxygen deficiency TiO_(2)coating Compatibility Bromine-based battery

Simultaneous integration of Fe clusters and NiFe dual single atoms in nitrogen-doped carbon for oxygen reduction reaction

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Nano research 2024年第4期17卷 2291-2297页

作者： Jirong Bai Yuebin Lian Yaoyao Deng Mei Xiang Peng Xu Quanfa Zhou Yawen Tang Yaqiong Su research center of Secondary Resources and Environment School of Chemical Engineering and MaterialsChangzhou Institute of TechnologyChangzhou 213022China Jiangsu Key Laboratory of New Power Batteries School of Chemistry and Materials ScienceNanjing Normal UniversityNanjing 210023China School of Chemistry Engineering Research Center of Energy Storage Materials and Devices of Ministry of EducationNational Innovation Platform(Center)for Industry-Education Integration of Energy Storage TechnologyXi’an Jiaotong UniversityXi’an 710049China

Atomically-dispersed iron-based electrocatalysts are promising substitutes for noble metal electrocatalysts because of excellent performance in oxygen reduction reaction(ORR).Rationally modulating the local coordination environment of the Fe site and optimizing the binding energy of oxygen reduction intermediates are effective strategies to optimize ORR ***,we report a new method in which Ni is introduced to construct NiFe dual single atoms and iron nanoclusters loaded on the nitrogen-doped carbon with a highly porous *** design plays a synergistic role of dual single atoms and clusters,optimizes the 3d orbital and Fermi level of Fe,breaks the symmetrical structure of Fe-N_(4),and effectively improves the adsorption/desorption behavior of the oxygen-containing *** tests show FeNCs/NiFeSAs-NC has an excellent intrinsic *** calculations show the oxygen-containing species on the Ni active site will move to the middle of NiFe(bridge site connection)after optimization and that the key step is OH desorption,with a reaction energy of 0.27 *** electron exchange between NiFe-N6 and Fe-cluster is very strong,further indicating the introduction of Ni species and Fe clusters has a regulatory effect on the electronic structure of Fe-N_(4).

关键词： NiFe dual single atoms Fe clusters OH*adsorption energy oxygen reduction reaction

How the microenvironment dominated by the distance effect to regulate the FeN_(4)site ORR activity and selectivity?

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Nano research 2024年第6期17卷 5735-5741页

作者： Peng Li Qingfeng Guo Jianrui Zhang Ruilin Chen Shujiang Ding Yaqiong Su School of Chemistry Engineering Research Center of Energy Storage Materials and Devices of Ministry of EducationNational Innovation Platform(Center)for Industry-Education Integration of Energy Storage TechnologyXi’an Jiaotong UniversityXi’an 710049China Huanghe Science and Technology College Zhengzhou 450063China General research Institute of engineering of Gotion High-Tech Hefei 230041China

The distance effect of the doped heteroatoms away from the catalytic centers has rarely been *** this work,we conducted density functional theory calculations to thoroughly investigate the influence of heteroatom(N,P,B,and S atoms)doping distance on the oxygen reduction reaction(ORR)activity of graphene-based FeN_(4)*** uncovered a Sabatier-like relationship between heteroatom doping distance and ORR activity of FeN_(4)*** nearest doping does not significantly improve and even block the ORR activity of FeN_(4)*** ORR activity is achieved when the heteroatoms are 4-5Å(N,P,and S atoms)or 6-7Å(B atoms)away from the Fe *** of electronic structure indicates that distance effect can modulate the local chemical environment of Fe atoms,thereby account for the changes in ORR activity along with the doping distance and doping *** study provides insights into the influence of heteroatom doping on the chemical environment of reaction active centers,and provides the theoretical guidance for controlling the doping distance of heteroatoms to achieve optimal catalytic activity and selectivity.

关键词： distance effect microenvironment heteroatom doping FeN_(4) Sabatier-like relationship structure-activity relationship