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Nano-Micro Letters 2019年第1期11卷 64-77页

作者： Qi Shao Jiaqi Liu Qiong Wu Qiang Li Heng?guo Wang Yanhui Li Qian Duan School of Materials Science and Engineering Changchun University of Science and Technology

An in situ coupling strategy to prepare Co_9S_8/S and N dual?doped graphene composite(Co_9S_8/NSG) has been proposed. The key point of this strategy is the function?oriented design of organic compounds. Herein, cobalt porphyrin derivatives with sulfo groups are employed as not only the coupling agents to form and anchor Co_9S_8 on the graphene in situ, but also the heteroatom?doped agent to generate S and N dual?doped graphene. The tight coupling of multiple active sites endows the composite materials with fast electrochemical kinetics and excellent stability for both oxygen reduction reaction(ORR) and oxygen evolution reaction(OER). The obtained electrocatalyst exhibits better activity parameter(ΔE = 0.82 V) and smaller Tafel slope(47.7 mV dec^(-1) for ORR and 69.2 mV dec^(-1) for OER) than commercially available Pt/C and RuO_2. Most importantly, as electrocatalyst for rechargeable Zn–air battery, Co_9S_8/NSG displays low charge–discharge voltage gap and outstanding long?term cycle stability over 138 h compared to Pt/C–RuO_2. To further broaden its application scope, a homemade all?solid?state Zn–air battery is also prepared, which displays good charge–discharge performance and cycle performance. The function?oriented design of N_4?metallomacrocycle derivatives might open new avenues to strategic construction of high?performance and long?life multifunctional electrocatalysts for wider electro?chemical energy applications.

关键词： In situ coupling strategy Porphyrin derivate Doped graphene Metal sulfide Bifunctional electrocatalyst Rechargeable Zn–air battery

Unexpected intercalation-dominated potassium storage in WS2 as a I potassium-ion battery anode

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Nano Research 2019年第12期12卷 2997-3002页

作者： Vuhan Wu Yang Xu Yueliang Li Pengbo Lyu Jin Wen Chenglin Zhang Min Zhou Yaoguo Fang Huaping Zhao Ute Kaiser Yong Lei Fachgebiet Angewandte Nanophysik Institutfiir Physik&ZMN MacroNano(ZIK)Technische Universitat IlmenauIlmenau 98693Germany Department of Chemistry University College LondonLondon WC1H OAJUK Central Facility for Electron Microscopy Electron Microscopy Group of Materials ScienceUlm UniversityUlm 89081Germany Department of Physical and Macromolecular Chemistry Faculty of ScienceCharles University12843 Prague 2Czech Republic Institute of Organic Chemistry and Biochemistry Academy of Sciences of the Czech Republic16610 Prague 6Czech Republic

Unexpected intercalation-dominated process is observed duri ng K^+insertion in WS2 in a voltage range of 0.01-3.0 *** is different fromthe previously reported two-dimensional(2D)transition metal dichalcogenides that undergo a conversion reaction in a low voltage rangewhen used as anodes in potassium-ion ***/discharge processes in the K and Na cells are studied in parallel to demonstrate thedifferention storage *** Na^+storage proceeds through intercalation and conversion reactions while the K^+storage is governedby an intercalation *** to the reversible K^+intercalation in the van der Waals gaps,the WS2 anode exhibits a low decay rate of 0.07%per cycle,delivering a capacity of 103 mAh·g^-1 after 100 cycles at 100 mA·g^-*** maintains 57%capacity at 800 mA·g^-1 and shows stablecyclability up to 400 cycles at 500 mA·g^-*** study proves the facilitation of K^+transport is derived from the intercalation-dominatedmecha ***,the mechanismis verified by the density functional theory(DFT)calculations,showing that the progressive expansion of the interlayer space can account for the observed results.

关键词： potassium-ion battery anode WS2 intercalation

Nanometer-size Na cluster formation in micropore of hard carbon as origin of higher-capacity Na-ion battery

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npj Computational Materials 2021年第1期7卷 440-447页

作者： Yong Youn Bo Gao Azusa Kamiyama Kei Kubota Shinichi Komaba Yoshitaka Tateyama Center for Green Research on Energy and Environmental Materials(GREEN)and International Center for Materials Nanoarchitectonics(MANA) National Institute for Materials Science(NIMS)IbarakiJapan Department of Applied Chemistry Tokyo University of ScienceTokyoJapan Elements Strategy Initiative for Catalysts and Batteries(ESICB) Kyoto UniversityKyotoJapan

Development of high-energy-density anode is crucial for practical application of Na-ion battery as a post Li-ion *** carbon(HC),though a promising anode candidate,still has bottlenecks of insufficient capacity and unclear microscopic *** of the micropore has been recently discussed,however,the underlying sodiation mechanism is still *** we examined the origin for the high-capacity sodiation of HC,based on density functional theory *** demonstrated that nanometersize Na cluster with 3–6 layers is energetically stable between two sheets of graphene,a model micropore,in addition to the adsorption and intercalation *** finding well explains the extended capacity over typical 300 mAhg^(−1),up to 478 mAhg^(−1) recently found in the MgO-templated *** also clarified that the MgO-template can produce suitable nanometersize micropores with slightly defective graphitic domains in *** present study considerably promotes the atomistic theory of sodiation mechanism and complicated HC science.

关键词： battery cluster size

Compression of battery X-Ray Tomography Data with Machine Learning

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Chinese Physics Letters 2024年第9期41卷 153-158页

作者： Zipei Yan Qiyu Wang Xiqian Yu Jizhou Li Michael K.-P.Ng Department of Electronic Engineering The Chinese University of Hong KongHong KongChina Beijing National Laboratory for Condensed Matter Physics and Institute of PhysicsChinese Academy of SciencesBeijing 100190China Huairou Division Institute of PhysicsChinese Academy of SciencesBeijing 101400China Center of Materials Science and Optoelectronics Engineering University of Chinese Academy of SciencesBeijing 100049China CUHK Shenzhen Research Institute Shenzhen 518057China Department of Mathematics Hong Kong Baptist UniversityHong KongChina

With the increasing demand for high-resolution x-ray tomography in battery characterization,the challenges of storing,transmitting,and analyzing substantial imaging data necessitate more efficient *** data compression methods struggle to balance reduction ratio and image quality,often failing to preserve critical details for accurate *** study proposes a machine learning-assisted compression method tailored for battery x-ray imaging *** physics-informed representation learning,our approach significantly reduces file sizes without sacrificing meaningful *** validate the method on typical battery materials and different x-ray imaging techniques,demonstrating its effectiveness in preserving structural and chemical *** results show an up-to-95 compression ratio while maintaining high fidelity in the projection and reconstructed *** proposed framework provides a promising solution for managing large-scale battery x-ray imaging datasets,facilitating significant advancements in battery research and development.

关键词： battery battery details

Detecting lithium plating dynamics in a solid-state battery with operando X-ray computed tomography using machine learning

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npj Computational Materials 2023年第1期9卷 1402-1410页

作者： Ying Huang David Perlmutter Andrea Fei-Huei Su Jerome Quenum Pavel Shevchenko Dilworth Y.Parkinson Iryna V.Zenyuk Daniela Ushizima Department of Materials Science&Engineering University of California IrvineIrvineCaliforniaUSA National Fuel Cell Research Center University of California IrvineIrvineCaliforniaUSA Applied Math and Computational Research Division Lawrence Berkeley National LaboratoryBerkeleyCaliforniaUSA Department of Chemical&Biomolecular Engineering University of California IrvineIrvineCaliforniaUSA Department of Electrical Engineering and Computer Sciences College of EngineeringUniversity of California BerkeleyBerkeleyCaliforniaUSA Advanced Photon Source Argonne National Laboratory9700 South Cass AvenueLemontIllinoisUSA Advanced Light Source Lawrence Berkeley National LaboratoryBerkeleyCaliforniaUSA Berkeley Institute for Data Science University of California BerkeleyBerkeleyCaliforniaUSA

Operando X-ray micro-computed tomography(µCT)provides an opportunity to observe the evolution of Li structures inside pouch *** is an essential step to quantitatively analyzingµCT datasets but is challenging to achieve on operando Li-metal battery datasets due to the low X-ray attenuation of the Li metal and the sheer size of the ***,we report a computational approach,batteryNET,to train an Iterative Residual U-Net-based network to detect Li *** resulting semantic segmentation shows singular Li-related component changes,addressing diverse morphologies in the *** addition,visualizations of the dead Li are provided,including calculations about the volume and effective thickness of electrodes,deposited Li,and redeposited *** also report discoveries about the spatial relationships between these *** approach focuses on a method for analyzing battery performance,which brings insight that significantly benefits future Li-metal battery design and a semantic segmentation transferrable to other datasets.

关键词： battery lithium state

Facile fabrication of core-shell Ni3Se2/Ni nanofoams composites for lithium ion battery anodes

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Journal of Materials Science & Technology 2020年第3期38卷 119-124页

作者： Zhongren Wang Quanbin Gao Peng Lv Xiuwan Li Xinghui Wang Baihua Qu Fujian Provincial Key Laboratory of Light Propagation and Transformation College of Information Science and EngineeringHuaqiao UniversityXiamen 361000China College of Physics and Information Engineering Institute of Micro-Nano Devices and Solar CellsFuzhou UniversityFuzhou 350108China Pen-Tung Sah Institute of Micro-Nano Science and Technology Xiamen UniversityXiamen 361000China

Due to the highly porous structure,large specific surface area,and 3 D interconnected metal conductive network,nanoporous metal foams have attracted a lot of attention in the field of energy conversion and storage,especially lithium-ion batteries,which are ideal for current *** this work,we develop a facile approach to fabricate core-shell Ni3Se2/Ni nanofoams *** Ni3Se2/Ni composites make full use of both the advantages of metal conductive network and core-shell structure,resulting in a high capacity and superior rate *** addition,the composites can be directly converted into electrode by a simple mechanical compression,which is more convenient than traditional casting ***’s more,this material and its structure can be extended to other devices in the field of energy conversion and storage.

关键词： Metal foams Ni3Se2 core-shell Structure Composites Lithium ion battery

P-doped electrode for vanadium flow battery with high-rate capability and all-climate adaptability

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Journal of Energy Chemistry 2019年第8期28卷 55-59,I0003页

作者： Lihong Yu Feng Lin Lin Xu Jingyu Xi School of Applied Chemistry and Biological Technology Shenzhen PolytechnicShenzhen 518055 Guangdong China Institute of Green Chemistry and Energy Graduate School at Shenzhen Tsinghua UniversityShenzhen 518055 Guangdong China

A phosphorous-doped graphite felt(PGF) is fabricated and examined as electrode for vanadium flow battery(VFB). P doping improves the electrolyte wettability of GF and induces more defect sites on its surface, resulting in significantly enhanced activity and reversibility towards VO2^+/VO2^+ and V^2+/V3^+couples. VFB with PGF electrode demonstrates outstanding performance such as high-rate capability under 50–400 mA cm^-2, wide-temperature tolerance at-20 °C–60 °C, and excellent durability over 1000 charge–discharge cycles. These merits enable PGF a promising electrode for the next-generation VFB,which can operate at high-power and all-climate conditions.

关键词： Vanadium flow battery Graphite felt P doping High-power electrode All-climate

A High-performance Lithium Metal battery with a Multilayer Hybrid Electrolyte

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Energy & Environmental Materials 2023年第1期6卷 309-316页

作者： Qiang Yi Wenqiang Zhang Tianyuan Wang Junxing Han Chunwen Sun School of Chemical and Environmental Engineering China University of Mining&Technology(Beijing)Beijing 100083China CAS Center for Excellence in Nanoscience Beijing Institute of Nanoenergy and NanosystemsChinese Academy of SciencesBeijing 100083China School of Nanoscience and Technology University of Chinese Academy of SciencesBeijing 100049China

Solid-state batteries have been considered as a good choice for substituting traditional batteries with liquid electrolytes because of their high energy density and safe ***,a little amount of flammable non-aqueous liquid electrolyte or polymer electrolyte is usually required to improve the interfacial contact,which is adverse to ***,a nonflammable gel is prepared by hydrogen-bond interaction and applied as an interfacial layer to improve the performance of solid-state *** prepared multilayer hybrid electrolyte(MHE)composed of gel and CPE shows a wide electrochemical window(5.3 V vs Li/Li+),high ionic transference number(0.57),and ionic conductivity(7.18×10^(−4) S cm^(−1))at room ***,the assembled Li symmetric cell with MHE can cycle over 650 h at 0.5 mA cm^(−2) with a lower overpotential of~61 *** LiFePO_(4)|MHE|Li cell exhibits a higher discharge capacity of 107.8 mAh g−1 even cycled at 5 *** also shows superior capacity retention of 96.4%after 1000 cycles at 0.5 *** work provides a promising strategy for designing high-performance solid-state batteries.

关键词： battery electrolyte performance

Construction of surface lattice oxygen in metallic N-CuCoS1.97 porous nanowire for wearable Zn-air battery

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Journal of Energy Chemistry 2019年第7期28卷 1-9页

作者： Jie Yin Binbin Wei Yuxuan Li Yefei Li Pinxian Xi State Key Laboratory of Applied Organic Chemistry Key Laboratory of Nonferrous Metal Chemistry and Resources Utilization of Gansu Provinceand College of Chemistry and Chemical EngineeringLanzhou UniversityLanzhou 730000GansuChina PetroChina Lanzhou Lubricating Oil R&D Institute Lanzhou 730000GansuChina Collaborative Innovation Center of Chemistry for Energy Material Key Laboratory of Computational Physical Science(Ministry of Education)Shanghai Key Laboratory of Molecular Catalysis and Innovative MaterialsDepartment of ChemistryFudan UniversityShanghai 200433China

Achieving high activity and stability oxygen evolution reaction(OER) catalysts to optimize the efficiency of metal-air battery, water splitting and other energy conversion devices, remains a formidable ***, we demonstrate the metallic porous nanowires arrays with abundant defects via nitrogen and copper codoped CoS1.97 nanowires(N-CuCoS1.97 NWs). The N-CuCoS1.97 NWs can serve as an excellent OER self-supported electrode with an overpotential of 280 mV(j = 10 m A cm-2) and remarkable long-term stability. The X-ray absorption near-edge structure(XANES) and X-ray photoelectron spectrum(XPS) measurements confirmed the surface lattice oxygen created on the N-CuCoS1.97 NWs during OER. Then, the density function theory(DFT) results evident that lattice oxygen constructed surface of N-CuCoS1.97 NWs has more favorable OER energetic profiles and absorption for reaction intermediate. More importantly,the flexible and wearable Zn-air battery fabricated by the N-CuCoS1.97 NWs shows excellent rechargeable and mechanical stability, which can be used in portable mobile device.

关键词： DFT calculation Porous nanowires Electrocatalyst OER Zn-air battery

Multiphysics modeling of solid-oxide iron-air redox battery:analysis and optimization of operation and performance parameters

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Science Bulletin 2016年第17期61卷 1345-1354页

作者： Xinfang Jin Kevin Huang Department of Mechanical Engineering University of South Carolina

The present study reports a systematic computational analysis of the performance of solid oxide metalair redox battery operated at 800 and 550 ℃ using a recently developed high-fidelity multiphysics *** sets of parameters are particularly investigated:(1) operational parameters including current density and depth of discharge;(2) performance parameters including the chemical reaction kinetic rate constant of the redox cycle unit and exchange current density of the regenerative solid oxide fuel *** two groups of parameters are particularly analyzed with the goal to achieve high specific energy and round trip efficiency for SOIARB operated at different operating temperatures.

关键词： Energy storage Solid oxide fuel cell battery Modeling FeO reduction Fe3O4 reduction