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Nano Research 2024年第1期17卷 235-244页

作者： Yongjia Wang Guoshuai Su Xiaoying Li Linrui Hou Longwei Liang Changzhou Yuan School of materials science&engineering University of JinanJinan 250022China

Na_(3)V_(2)(PO_(4))_(3)(NVP),as a great potential cathode candidate for Na-ion batteries(NIBs),has attracted enormous interest due to its three-dimensional(3D)large open framework for convenient Na+transport,yet its practical application is still limited by its inferior electron conductivity and sluggish Na+diffusion kinetics.Herein,the tiny Cr doped hierarchical NVP micro-flower cathodes(i.e.,Na_(3)V_(2-x)Crx(PO_(4))_(3)@C,x≤0.1),which are self-assembled with single-crystal nanoflake subunits in-situ coated with carbon nano-shell,are designed and fabricated via a scalable avenue.The optimized cathode,i.e.,Na_(3)V_(1.94)Cr_(0.06)(PO_(4))_(3)@C(NVCP-6),was endowed with more electro-active Na(2)sites and higher electronic/ionic conductivity for efficient sodium storage.Benefiting from these competitive merits,the NVCP-6,when evaluated as a cathode towards NIBs,exhibits an ultrahigh-rate capability of 99.8 mAh·g^(-1)at 200 C and superior stability of 82.2%over 7300 cycles at 50 C.Furthermore,the NVCP-6 based full NIBs display remarkable electrochemical properties in terms of both high-rate capacities and long-duration cycling properties at different temperatures(-20–50°C).The contribution,i.e.,the design of“four ounces can move a thousand pounds”,here will promote the practical industrial application of NVP towards advanced NIBs.

关键词： Na_(3)V_(2)(PO_(4))_(3)cathode tiny Cr doping active Na sites ultrahigh-rate capability Na-ion batteries

Analysis of photocatalytic degradation of polyamide microplastics in metal salt solution by high resolution mass spectrometry

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Journal of Environmental sciences 2024年第5期139卷 473-482页

作者： Yunjin Zhong Lebing Zhuo Wangyang Lu National engineering Lab for Textile Fiber materials&Processing Technology(Zhejiang) School of Materials Science&EngineeringZhejiang Sci-Tech UniversityHangzhou 310018China

Microplastic pollution has become one of the most concerned focuses in the world.Among many treatment methods,photocatalysis is considered to be one of the most environmentally friendly methods.In this work,the photodegradation behavior of polyamide microplastics is studied by using polyamide 6(PA6)as model microplastics and FeCl_(3) as catalyst.It is hoped that the PA6 fiber can be effectively degraded by utilizing the strong oxidizing active species that can be produced after FeCl_(3) is irradiated in water.The results shows that PA6 fiber can be almost completely degraded after 10 days of irradiation in FeCl_(3) aqueous solution,indicating that it is promising to use this new method to solve the problem of PA6type microplastics.In addition,the chain scission mechanism and degradation process of PA6 are analyzed in detail by ultra-high performance liquid chromatography-tandem mass spectrometry(UPLC-MS),which provides a new insight for the study of polymer degradation mechanism.

关键词： FeCl_(3) Photocatalysis Polyamide 6 Chain scission

Predictive modeling of critical temperatures in magnesium compounds using transfer learning

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Journal of Magnesium and Alloys 2024年第4期12卷 1540-1553页

作者： Surjeet Kumar Russlan Jaafreh Subhajit Dutta Jung Hyeon Yoo Santiago Pereznieto Kotiba Hamad Dae Ho Yoon School of Advanced materials science&engineering Sungkyunkwan University Suwon 16419Republic of Korea

This study presents a transfer learning approach for discovering potential Mg-based superconductors utilizing a comprehensive target dataset.Initially,a large source dataset(Bandgap dataset)comprising approximately∼75k compounds is utilized for pretraining,followed by fine-tuning with a smaller Critical Temperature(T_(c))dataset containing∼300 compounds.Comparatively,there is a significant improvement in the performance of the transfer learning model over the traditional deep learning(DL)model in predicting Tc.Subsequently,the transfer learning model is applied to predict the properties of approximately 150k compounds.Predictions are validated computationally using density functional theory(DFT)calculations based on lattice dynamics-related theory.Moreover,to demonstrate the extended predictive capability of the transfer learning model for new materials,a pool of virtual compounds derived from prototype crystal structures from the materials Project(MP)database is generated.T_(c) predictions are obtained for∼3600 virtual compounds,which underwent screening for electroneutrality and thermodynamic stability.An Extra Trees-based model is trained to utilize E_(hull)values to obtain thermodynamically stable materials,employing a dataset containing Ehull values for approximately 150k materials for training.materials with Ehull values exceeding 5 meV/atom were filtered out,resulting in a refined list of potential Mg-based superconductors.This study showcases the effectiveness of transfer learning in predicting superconducting properties and highlights its potential for accelerating the discovery of Mg-based materials in the field of superconductivity.

关键词： Superconductivity Critical temperature Transfer learning Crystal structure features Thermodynamic stability

Heteroatom anchors Fe-Mn dual-atom catalysts with bi-functional oxygen catalytic activity for low-temperature rechargeable flexible Zn-air batteries

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Journal of Energy Chemistry 2024年第3期90卷 610-620,I0014页

作者： Yuting He Hongtao Li Yi Wang Yufei Jia Yongning Liu Qiang Tan State Key Laboratory for Mechanical Behaviour of materials School of Materials Science&EngineeringXi’an Jiaotong UniversityXi’an 710049ShaanxiChina

M-N-C(M=Fe,Co,Ni,etc.) catalyst owns high catalytic activity in the oxygen catalytic reaction which is the most likely to replace the Pt-based catalysts.But it is still a challenge to further increase the active site density.This article constructs the high-efficiency FeMn-N/S-C-1000 catalyst to realize ORR/OER bifunctional catalysis by hetero-atom,bimetal(Fe,Mn) doped simultaneously strategy.When evaluated it as bi-functional electro-catalysts,FeMn-N/S-C-1000 exhibits excellent catalytic activity(E_(1/2)=0.924 V,E_(j=10)=1.617 V) in alkaline media,outperforms conventional Pt/C,RuO_(2) and most non-precious-metal catalysts reported recently,Such outstanding performance is owing to N,S co-coordinated with metal to form multi-types of single atom,dual atom active sites to carry out bi-catalysis.Importantly,nitrite poison test provides the proof that the active sites of FeMn-N/S-C are more than that of single-atom catalysts to promote catalytic reactions directly.To better understand the local structure of Fe and Mn active sites,XAS and DFT were employed to reveal that FeMn-N_5/S-C site plays the key role during catalysis.Notably,the FeMn-N/S-C-1000 based low-temperature rechargeable flexible Zn-air also exhibits superior discharge performance and extraordinary durability at-40℃.This work will provide a new idea to design diatomic catalysts applied in low-temperature rechargeable batteries.

关键词： Fe Mn-N/S-C-1000 ORR OER Rechargeable flexible Zn-air batteries

Revisiting aluminum current collector in lithium-ion batteries:Corrosion and countermeasures

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Journal of Energy Chemistry 2024年第2期89卷 610-634,I0014页

作者： Shanglin Yang Jinyan Zhong Songmei Li Bin Li Key Laboratory of Aerospace Advanced materials and Performance of Ministry of Education School of Materials Science&EngineeringBeihang UniversityBeijing 100191China

With the large-scale service of lithium-ion batteries(LIBs),their failures have attracted significant attentions.While the decay of active materials is the primary cause for LIB failures,the degradation of auxiliary materials,such as current collector corrosion,should not be disregarded.Therefore,it is necessary to conduct a comprehensive review in this field.In this review,from the perspectives of electrochemistry and materials,we systematically summarize the corrosion behavior of aluminum cathode current collector and propose corresponding countermeasures.Firstly,the corrosion type is clarified based on the properties of passivation layers in different organic electrolyte components.Furthermore,a thoroughgoing analysis is presented to examine the impact of various factors on aluminum corrosion,including lithium salts,organic solvents,water impurities,and operating conditions.Subsequently,strategies for electrolyte and protection layer employed to suppress corrosion are discussed in detail.Lastly and most importantly,we provide insights and recommendations to prevent corrosion of current collectors,facilitate the development of advanced current collectors and the implementation of next-generation high-voltage stable LIBs.

关键词： Lithium-ion battery Aluminum current collector Corrosion Electrochemical performance Electrolyte Protective layer

A functional hydrogenase mimic that catalyzes robust H_(2) evolution spontaneously in aqueous environment

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Nano Research 2024年第5期17卷 3942-3949页

作者： Ningning Song Zhanjun Guo Shuo Wang Yongli Li Yunpeng Liu Meishuai Zou Minmin Liang Experimental Center of Advanced materials School of Materials Science&EngineeringBeijing Institute of TechnologyBeijing 100081China School of materials science&engineering Beijing Institute of TechnologyBeijing 100081China Institute of High Energy Physics Chinese Academy of SciencesBeijing 100049China

Although great progress has been made in improving hydrogen production,highly efficient catalysts,which are able to produce hydrogen in a fast and steady way at ambient temperature and pressure,are still in large demand.Here,we report a[NiCo]-based hydrogenase mimic,NiCo_(2)O_(4) nanozyme,that can catalyze robust hydrogen evolution spontaneously in water without external energy input at room temperature.This hydrogenase nanozyme facilitates water splitting reaction by forming a three-center Ni-OH-Co bond analogous to the[NiFe]-hydrogenase reaction by using aluminum as electron donor,and realizes hydrogen evolution with a high production rate of 915 L·h^(-1) per gram of nanozymes,which is hundreds of times higher than most of the natural hydrogenase or hydrogenase mimics.Furthermore,the NiCo_(2)O_(4) nanozyme can robustly disrupt the adhesive oxidized layer of aluminum and enable the full consumption of electrons from aluminum.In contrast to the often-expensive synthetic catalysts that rely on rare elements and consume high energy,we envision that this NiCo_(2)O_(4) nanozyme can potentially provide an upgrade for current hydrogen evolution,accelerate the development of scale-up hydrogen production,and generate a clean energy future.

关键词： hydrogenase mimic nanozyme hydrogen evolution reaction aluminum activation water-splitting

MOF-derived porous graphitic carbon with optimized plateau capacity and rate capability for high performance lithium-ion capacitors

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International Journal of Minerals,Metallurgy and materials 2024年第2期31卷 395-404页

作者： Ge Chu Chaohui Wang Zhewei Yang Lin Qin Xin Fan College of materials science&engineering Guilin University of TechnologyGuilin 541004China Institute of Energy Innovation College of Materials Science and EngineeringTaiyuan University of TechnologyTaiyuan 030024China

The development of anode materials with high rate capability and long charge-discharge plateau is the key to improve per-formance of lithium-ion capacitors(LICs).Herein,the porous graphitic carbon(PGC-1300)derived from a new triply interpenetrated co-balt metal-organic framework(Co-MOF)was prepared through the facile and robust carbonization at 1300°C and washing by HCl solu-tion.The as-prepared PGC-1300 featured an optimized graphitization degree and porous framework,which not only contributes to high plateau capacity(105.0 mAh·g^(−1)below 0.2 V at 0.05 A·g^(−1)),but also supplies more convenient pathways for ions and increases the rate capability(128.5 mAh·g^(−1)at 3.2 A·g^(−1)).According to the kinetics analyses,it can be found that diffusion regulated surface induced capa-citive process and Li-ions intercalation process are coexisted for lithium-ion storage.Additionally,LIC PGC-1300//AC constructed with pre-lithiated PGC-1300 anode and activated carbon(AC)cathode exhibited an increased energy density of 102.8 Wh·kg^(−1),a power dens-ity of 6017.1 W·kg^(−1),together with the excellent cyclic stability(91.6%retention after 10000 cycles at 1.0 A·g^(−1)).

关键词： metal-organic framework porous graphitic carbon optimized plateau capacity kinetic analysis lithium-ion capacitor

BSTFNet:An Encrypted Malicious Traffic Classification Method Integrating Global Semantic and Spatiotemporal Features

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Computers, materials & Continua 2024年第3期78卷 3929-3951页

作者： Hong Huang Xingxing Zhang Ye Lu Ze Li Shaohua Zhou School of Computer science and engineering Sichuan University of Science&EngineeringYibin644002China School of Mathematics and Statistics Sichuan University of Science&EngineeringYibin644002China

While encryption technology safeguards the security of network communications,malicious traffic also uses encryption protocols to obscure its malicious behavior.To address the issues of traditional machine learning methods relying on expert experience and the insufficient representation capabilities of existing deep learning methods for encrypted malicious traffic,we propose an encrypted malicious traffic classification method that integrates global semantic features with local spatiotemporal features,called BERT-based Spatio-Temporal Features Network(BSTFNet).At the packet-level granularity,the model captures the global semantic features of packets through the attention mechanism of the Bidirectional Encoder Representations from Transformers(BERT)model.At the byte-level granularity,we initially employ the Bidirectional Gated Recurrent Unit(BiGRU)model to extract temporal features from bytes,followed by the utilization of the Text Convolutional Neural Network(TextCNN)model with multi-sized convolution kernels to extract local multi-receptive field spatial features.The fusion of features from both granularities serves as the ultimate multidimensional representation of malicious traffic.Our approach achieves accuracy and F1-score of 99.39%and 99.40%,respectively,on the publicly available USTC-TFC2016 dataset,and effectively reduces sample confusion within the Neris and Virut categories.The experimental results demonstrate that our method has outstanding representation and classification capabilities for encrypted malicious traffic.

关键词： Encrypted malicious traffic classification bidirectional encoder representations from transformers text convolutional neural network bidirectional gated recurrent unit

Perspective on powder technology for all-solid-state batteries:How to pair sulfide electrolyte with high-voltage cathode

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Particuology 2024年第3期86卷 55-66页

作者： Jiangkui Hu Shijie Yang Yingying Pei Xilong Wang Yulong Liao Shuai Li Aolong Yue Jia-Qi Huang Hong Yuan School of materials science&engineering Beijing Institute of TechnologyBeijing100081China Advanced Research Institute of Multidisciplinary science Beijing Institute of TechnologyBeijing100081China

Sulfide solid electrolytes(SEs)have attracted ever-increasing attention due to their superior roomtemperature ionic conductivity(~10^(-2) S cm^(-1)).Additionally,the integration of sulfide SEs and highvoltage cathodes is promising to achieve higher energy density.However,the incompatible interfaces between sulfide SEs and high-voltage cathodes have been one of the key factors limiting their applications.Therefore,this review presents a critical summarization of the interfacial issues in all-solid-state lithium batteries based on sulfide SEs and high-voltage cathodes and proposes strategies to stabilize the electrolyte/cathode interfaces.Moreover,the future research direction of electrolyte/cathode interfaces and application prospects of powder technology in sulfide-based ASSLBs were also discussed.

关键词： Sulfide solid electrolytes High-voltage cathodes Electrode/electrolyte interfaces All-solid-state lithium batteries

Molecular Dynamics Simulation of Shock Response of CL-20 Co-crystals Containing Void Defects

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Defence Technology（防务技术） 2024年第1期31卷 364-374页

作者： Changlin Li Wei Yang Qiang Gan Yajun Wang Lin Liang Wenbo Zhang Shuangfei Zhu Changgen Feng State Key Laboratory of Explosion science and Technology Beijing Institute of TechnologyBeijing 100081China School of materials science&engineering Beijing Institute of TechnologyBeijing 100081China

To investigate the effect of void defects on the shock response of hexanitrohexaazaisowurtzitane(CL-20)co-crystals,shock responses of CL-20 co-crystals with energetic materials ligands trinitrotoluene(TNT),1,3-dinitrobenzene(DNB),solvents ligands dimethyl carbonate(DMC) and gamma-butyrolactone(GBL)with void were simulated,using molecular dynamics method and reactive force field.It is found that the CL-20 co-crystals with void defects will form hot spots when impacted,significantly affecting the decomposition of molecules around the void.The degree of molecular fragmentation is relatively low under the reflection velocity of 2 km/s,and the main reactions are the formation of dimer and the shedding of nitro groups.The existence of voids reduces the safety of CL-20 co-crystals,which induced the sensitivity of energetic co-crystals CL-20/TNT and CL-20/DNB to increase more significantly.Detonation has occurred under the reflection velocity of 4 km/s,energetic co-crystals are easier to polymerize than solvent co-crystals,and are not obviously affected by voids.The results show that the energy of the wave decreases after sweeping over the void,which reduces the chemical reaction frequency downstream of the void and affects the detonation performance,especially the solvent co-crystals.

关键词： CL-20 co-crystals Molecular dynamics simulation Reactive forcefield Impact response Hot spot Void defect