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A Fully-Integrated Memristor Chip for Edge Learning

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Nano-Micro Letters 2024年第9期16卷 123-127页

作者： Yanhong Zhang Liang Chu Wenjun Li School of Electronics and Information Hangzhou Dianzi UniversityHangzhou 310018People’s Republic of China

It is still challenging to fully integrate computing in memory chip as edge learning *** recent work published on science,a fully-integrated chip based on neuromorphic memristors was developed for edge learning as artificial neural networks with functionality of synapses,dendrites,and somas.A crossbar-array memristor chip facilitated edge learning including hardware realization,learning algorithm,and cycle-parallel sign-and threshold-based learning(STELLAR)*** motion control and demonstration platforms were executed to improve the edge learning ability for adapting to new scenarios.

关键词： Computing in memory Edge learning Fully-integrated chip

Random Green's Function Method for Large-Scale Electronic Structure Calculation

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Chinese Physics Letters 2024年第5期41卷 23-29页

作者：汤明发刘畅张爱霞张青云翟佳羽袁声军柯友启 School of Physical science and Technology ShanghaiTech UniversityShanghai 201210China Xiaogan Sichuang Information Technology Co. LTDXiaogan 432000China Institute of Mathematical sciences ShanghaiTech UniversityShanghai 201210China Key Laboratory of Artificial Micro-and Nano-structures of Ministry of Education and School of Physics and TechnologyWuhan UniversityWuhan 430072China Wuhan Institute of Quantum Technology Wuhan 430206China

We report a linear-scaling random Green's function(rGF) method for large-scale electronic structure calculation. In this method, the rGF is defined on a set of random states and is efficiently calculated by projecting onto Krylov subspace. With the rGF method, the Fermi–Dirac operator can be obtained directly, avoiding the polynomial expansion to Fermi–Dirac function. To demonstrate the applicability, we implement the rGF method with the density-functional tight-binding method. It is shown that the Krylov subspace can maintain at small size for materials with different gaps at zero temperature, including H_(2)O and Si clusters. We find with a simple deflation technique that the rGF self-consistent calculation of H_(2)O clusters at T = 0 K can reach an error of~ 1 me V per H_(2)O molecule in total energy, compared to deterministic calculations. The rGF method provides an effective stochastic method for large-scale electronic structure simulation.

关键词： calculation function method

Polymer Mechanochemistry on Reactive Species Generated from Mechanochemical Reactions

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Chinese Journal of Chemistry 2024年第12期42卷 1418-1432页

作者： Xiaolong Chen Hang Shen Zhengbiao Zhang State and Local Joint Engineering Laboratory for Novel Functional Polymeric Materials Suzhou Key Laboratory of Macromolecular Design and Precision SynthesisCollege of ChemistryChemical Engineering and Materials ScienceSoochow UniversitySuzhouJiangsu 215123China

Comprehensive Summary Polymer mechanochemistry on reactive species has attracted more and more attentions over the past 20 years,as the mechanochemical generation of reactive species has a great potential in developing different polymeric materials for various purposes,such as stress detection,self-healing,self-strengthening,controllable degradation and release of small *** this review,we first discuss the recent progress on polymer mechanochemistry of the reactive species that are generated from the mechanochemical reactions of *** types of reactive species,including radical,zwitterion,ionic,carbene and neutral intermediates,and their applications were reviewed in *** mechanochemical reactions are sensitive to the mechanophore structure and polymer framework,we then discuss how mechanophore isomerism,polymer structure,polymer attachment point,and polymer architecture influence the mechanophore *** last,we provide our perspectives on the polymer mechanochemistry of reactivespecies.

关键词： Stimuli-responsive polymers Polymer mechanochemistry Mechanophore Mechanochemical reaction Reactive species

Combinatorial optimization of perovskite-based ferroelectric ceramics for energy storage applications

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Journal of Advanced Ceramics 2024年第7期13卷 877-910页

作者： Suwei Dai Mengyang Li Xiaowen Wu Yunyi Wu Xiang Li Yanan Hao Bingcheng Luo Engineering Research Center of Ministry of Education for Geological Carbon Storage and Low Carbon Utilization of Resources Beijing Key Laboratory of Materials Utilization of Nonmetallic Minerals and Solid WastesNational Laboratory of Mineral MaterialsSchool of Materials Science and TechnologyChina University of Geosciences BeijingBeijing 100083China College of science China Agricultural UniversityBeijing 100083China Research Center for Comprehensive Energy Technology CTG Science and Technology Research InstituteBeijing 100038China School of Energy and Power Engineering Beihang UniversityBeijing 100191China State Key Laboratory of Information Photonics and Optical Communications&School of science Beijing University of Posts and TelecommunicationsBeijing 100876China

With the increasing impacts of climate change and resource depletion,dielectric capacitors,with their exceptional stability,fast charging and discharging rates,and ability to operate under more extreme conditions,are emerging as promising high-demand candidates for high-performance energy storage devices,distinguishing them from traditional electrochemical capacitors and ***,due to the shortcomings of various dielectric ceramics(e.g.,paraelectrics(PEs),ferroelectrics(FEs),and antiferroelectrics(AFEs)),their low polarizability,low breakdown strength(BDS),and large hysteresis loss limit their standalone use in the advancement of energy storage ***,synthesizing novel perovskite-based materials that exhibit high energy density,high energy efficiency,and low loss is crucial for achieving superior energy storage *** this review,we outline the recent development of perovskitebased ferroelectric energy storage ceramics from the perspective of combinatorial optimization for tailoring ferroelectric hysteresis loops and comprehensively discuss the properties arising from the different combinations of *** also provide future guidelines in this ***,the combinatorial optimization strategy in this review will open up a practical route toward the application of new high-performance ferroelectric energy storage devices.

关键词： perovskite hysteresis loop relaxor ferroelectric(RFE) paraelectric(PE) antiferroelectric(AFE) energy storage

Hard-carbon hybrid Li-ion/metal anode enabled by preferred mesoporous uniform lithium growth mechanism

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Journal of Energy Chemistry 2024年第1期88卷 252-259,I0006页

作者： Fang Yan Yan Liu Yuan Li Yan Wang Zicen Deng Meng Li Zhenwei Zhu Aohan Zhou Ting Li Jingyi Qiu Gaoping Cao Shaobo Huang Biyan Wang Hao Zhang School of Chemistry and Biological Engineering University of Science and TechnologyBeijing 100083China Research Institute of Chemical Defense Beijing 100191China College of Physics and Engineering Henan University of Science and TechnologyLuoyang 471023HenanChina national Base for International science&Technology Cooperation School of ChemistryXiangtan UniversityXiangtan 411105HunanChina Materials and Manufacturing Department Beijing University of TechnologyBeijing 100124China

To achieve high energy density in lithium batteries,the construction of lithium-ion/metal hybrid anodes is a promising *** particular,because of the anisotropy of graphite,hybrid anode formed by graphite/Li metal has low transport kinetics and is easy to causes the growth of lithium dendrites and accumulation of dead Li,which seriously affects the cycle life of batteries and even causes safety ***,by comparing graphite with two types of hard carbon,it was found that hybrid anode formed by hard carbon and lithium metal,possessing more disordered mesoporous structure and lithophilic groups,presents better *** indicate that the mesoporous structure provides abundant active site and storage space for dead *** the synergistic effect of this structure and lithophilic functional groups(–COOH),the reversibility of hard carbon/lithium metal hybrid anode is maintained,promoting uniform deposition of lithium metal and alleviating formation of lithium *** hybrid anode maintains a 99.5%Coulombic efficiency(CE)after 260 cycles at a specific capacity of 500 m Ah/*** work provides new insights into the hybrid anodes formed by carbon-based materials and lithium metal with high specific energy and fast charging ability.

关键词： Hard carbon/Li metal hybrid anode Mesoporous structure Surface oxygen functional group Fast charging Lithium batteries

Degradation analysis and doping modification optimization for high-voltage P-type layered cathode in sodium-ion batteries

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Journal of Energy Chemistry 2024年第2期89卷 1-9,I0002页

作者： Bao Zhang Yi Zhao Minghuang Li Qi Wang Lei Cheng Lei Ming Xing Ou Xiaowei Wang national Engineering Laboratory for High-Efficiency Recovery of Refractory Nonferrous Metals School of Metallurgy and EnvironmentCentral South UniversityChangsha 410083HunanChina Zhejiang Power New Energy Co. LTDZhuji 311800ZhejiangChina

Advancing high-voltage stability of layered sodium-ion oxides represents a pivotal avenue for their progress in energy storage *** this,a comprehensive understanding of the mechanisms underpinning their structural deterioration at elevated voltages remains insufficiently *** this study,we unveil a layer delamination phenomenon of Na_(0.67)Ni_(0.3)Mn_(0.7)O_(2)(NNM)within the 2.0-4.3 V voltage,attributed to considerable volumetric fluctuations along the c-axis and lattice oxygen reactions induced by the simultaneous Ni^(3+)/Ni^(4+)and anion redox *** introducing Mg doping to diminished Ni-O antibonding,the anion oxidation-reduction reactions are effectively mitigated,and the structural integrity of the P2 phase remains firmly intact,safeguarding active sites and precluding the formation of novel *** Na_(0.67)Mg_(0.05)Ni_(0.25)Mn_(0.7)O_(2)(NMNM-5)exhibits a specific capacity of100.7 mA h g^(-1),signifying an 83%improvement compared to the NNM material within the voltage of2.0-4.3 *** investigation underscores the intricate interplay between high-voltage stability and structural degradation mechanisms in layered sodium-ion oxides.

关键词： Soidum ion batteries Layer cathode materials P-type High-voltage performance Degradation analysis

Atom substitution of the solid-state electrolyte Li_(10)GeP_(2)S_(12)for stabilized all-solid-state lithium metal batteries

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Journal of Energy Chemistry 2024年第1期88卷 28-38,I0002页

作者： Zijing Wan Xiaozhen Chen Ziqi Zhou Xiaoliang Zhong Xiaobing Luo Dongwei Xu State Key Laboratory of Coal Combustion School of Energy and Power EngineeringHuazhong University of Science and TechnologyWuhan 430074HubeiChina

Solid-state electrolyte Li_(10)GeP_(2)S_(12)(LGPS)has a high lithium ion conductivity of 12 mS cm^(-1)at room temperature,but its inferior chemical stability against lithium metal anode impedes its practical *** all solutions,Ge atom substitution of the solid-state electrolyte LGPS stands out as the most promising solution to this interface problem.A systematic screening framework for Ge atom substitution including ionic conductivity,thermodynamic stability,electronic and mechanical properties is utilized to solve *** fast screening,an enhanced model Dop Net FC using chemical formulas for the dataset is adopted to predict ionic ***,Li_(10)SrP_(2)S_(12)(LSrPS)is screened out,which has high lithium ion conductivity(12.58 mS cm^(-1)).In addition,an enhanced migration of lithium ion across the LSr PS/Li interface is ***,compared to the LGPS/Li interface,LSrPS/Li interface exhibits a larger Schottky barrier(0.134 eV),smaller electron transfer region(3.103?),and enhanced ability to block additional electrons,all of which contribute to the stabilized *** applied theoretical atom substitution screening framework with the aid of machine learning can be extended to rapid determination of modified specific material schemes.

关键词： Atom substitution Solid-state electrolyte Machine learning Stabilized interface

Novel medium entropy perovskite oxide Sr(FeCoNiMo)_(1/4)O_(3−δ)for zinc-air battery cathode

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Journal of Energy Chemistry 2024年第9期96卷 669-678页

作者： Kaixin Li Juntao Gao Xu Han Qi Shao Zhe Lü School of Physics Harbin Institute of TechnologyHarbin 150001HeilongjiangChina Heilongjiang Provincial Key Laboratory of Advanced Quantum Functional Materials and Sensor Components Harbin 150001HeilongjiangChina

It is widely recognized that the development of ZABs is impeded by the kinetic bottleneck of oxygen evolution reaction(OER)and oxygen reduction reaction(ORR).The application of conformational entropy strategy to oxides often involves introducing multiple elements with different properties,thereby providing outstanding bifunctional catalytic activity for OER/***,the possible underlying catalytic pathways and potential interactions between various components are still poorly *** paper presents an excellent medium-entropy perovskite oxide,Sr(FeCoNiMo)_(1/4)O_(3−δ)(lower overpotential of 301 mV at 10 mA cm^(−2)).Zinc-air batteries employing it as a cathode catalyst demonstrate excellent round-trip efficiency(62%).By combining theoretical calculation with experiments,we aim to establish the link between the electronic structure of perovskite oxides with different elemental compositions and their OER *** reveals that the conformational entropy strategy can simultaneously shift the O 2p-band center and metal d-band center of perovskite oxide towards the vicinity of the Fermi energy level,thereby triggering a more favorable lattice oxygen-participated mechanism(LOM)during the OER *** outcomes of this work provide crucial insights into the role of conformational entropy strategies in oxygen catalysis and offer potential avenues for constructing efficient and stable electrocatalysts.

关键词： Sr(FeCoNiMo)_(1/4)O_(3−δ) Bifunctional catalyst Medium entropy LOM Rechargeable zinc-air batteries

Optimization of Band Gap of 1D Elastic Metamaterial Under Impact Load by Regulating Stiffness

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Acta Mechanica Solida Sinica 2024年第1期37卷 148-154页

作者： Tong Li Xianlong Jin Yongqiang Li Peizhong Yang School of Mechanical Engineering Shanghai Jiao Tong UniversityShanghai 200240China State Key Laboratory of Mechanical System and Vibration Shanghai Jiaotong UniversityShanghai 200240China College of science Northeastern UniversityShenyang 110819China

Designing materials that mitigate impacts effectively are crucial for protecting people and ***,a single-resonator metamaterial with negative mass characteristics is proposed for impact mitigation,and numerical analysis of wave propagation shows explicitly how the spring stiffness and number of unit cells influence that *** results show clearly that a metamaterial with differing microstructural stiffness is better at mitigating the effect of a shock wave than one with a unique ***,there is a critical number of unit cells beyond which the shock wave is not attenuated further,but the fabrication complexity *** the 40 groups of microstructural regions in this example,the attenuation effect no longer increases when there are more than 35 *** work offers guidance for microstructure designs in metamaterials and provides new ideas for using metamaterials to mitigate shock waves.

关键词： Elastic metamaterials Wave attenuation Stiffness Number of unit cells