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Exploring the Core-shell Structure of BaTiO3-based Dielectric Ceramics Using Machine Learning Models and Interpretability Analysis

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Journal of Wuhan University of technology(materials Science) 2024年第3期39卷 561-569页

作者：孙家乐 XIONG Peifeng 郝华 LIU Hanxing State Key Laboratory of Advanced Technology for Materials Synthesis and Processing School of Material Science and EngineeringInternational School of Material Science and EngineeringWuhan University of TechnologyWuhan 430070China Sanya Science and Education Innovation Park Wuhan University of TechnologySanya 572000China Foshan Xianhu Laboratory of the Advanced Energy Science and Technology Guangdong Laboratory Xianhu Hydrogen ValleyFoshan 528200China

A machine learning(ML)-based random forest(RF)classification model algorithm was employed to investigate the main factors affecting the formation of the core-shell structure of BaTiO_(3)-based ceramics and their interpretability was analyzed by using Shapley additive explanations(SHAP).An F1-score changed from 0.8795 to 0.9310,accuracy from 0.8450 to 0.9070,precision from 0.8714 to 0.9000,recall from 0.8929 to 0.9643,and ROC/AUC value of 0.97±0.03 was achieved by the RF classification with the optimal set of features containing only 5 features,demonstrating the high accuracy of our model and its high *** the interpretability analysis of the model,it was found that the electronegativity,melting point,and sintering temperature of the dopant contribute highly to the formation of the core-shell structure,and based on these characteristics,specific ranges were delineated and twelve elements were finally obtained that met all the requirements,namely Si,Sc,Mn,Fe,Co,Ni,Pd,Er,Tm,Lu,Pa,and *** the process of exploring the structure of the core-shell,the doping elements can be effectively localized to be selected by choosing the range of features.

关键词： machine learning BaTiO_(3) core-shell structure random forest classifier

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Epitaxially Grown Ru Clusters-Nickel Nitride Heterostructure Advances Water Electrolysis Kinetics in Alkaline and Seawater Media

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Energy & Environmental materials 2023年第2期6卷 81-89页

作者： Jiawei Zhu Ruihu Lu Wenjie Shi Lei Gong Ding Chen Pengyan Wang Lei Chen Jinsong Wu Shichun Mu Yan Zhao State Key Laboratory of Advanced Technology for Materials Synthesis and Processing Wuhan University of TechnologyWuhan 430070China Foshan Xianhu Laboratory of the Advanced Energy Science and Technology Guangdong Laboratory Xianhu Hydrogen ValleyFoshan 528200China State Key Laboratory of Silicate Materials for Architectures International School of Materials Science and EngineeringWuhan University of TechnologyWuhan 430070China NRC(Nanostructure Research Centre) Wuhan University of TechnologyWuhan 430070China

The epitaxial heterostructure can be rationally designed based on the in situ growth of two compatible phases with lattice similarity,in which the modulated electronic states and tuned adsorption behaviors are conducive to the enhancement of electrocatalytic ***,theoretical simulations first disclose the charge transfer trend and reinforced inherent electron conduction around the epitaxial heterointerface between Ru clusters and Ni_(3)N substrate(cRu-Ni_(3)N),thus leading to the optimized adsorption behaviors and reduced activation energy ***,the defectrich nanosheets with the epitaxially grown cRu-Ni_(3)N heterointerface are successfully ***,by virtue of the superiority of intrinsic activity and reaction kinetics,such unique epitaxial heterostructure exhibits remarkable bifunctional catalytic activity toward electrocatalytic OER(226 mV@20 mA cm^(−2))and HER(32 mV@10 mA cm^(−2))in alkaline ***,it also shows great application prospect in alkaline freshwater and seawater splitting,as well as solar-to-hydrogen integrated *** work could provide beneficial enlightenment for the establishment of advanced electrocatalysts with epitaxial heterointerfaces.

关键词： alkaline water electrolysis bifunctional electrocatalyst epitaxial heterostructure seawater electrolysis solar-to-hydrogen integrated system

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Effects of Diamond on the Mechanical Properties and Thermal Conductivity of Si_(3)N_(4)Composites Fabricated Using Spark Plasma Sintering

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Journal of Wuhan University of technology(materials Science) 2024年第5期39卷 1319-1324页

作者： GAO Ying LIU Di WANG Aiyang ZHANG Song HE Qianglong REN Shifeng FANG Jie WANG Zihan WANG Weimin State Key Laboratory of Advanced Technology for Materials Synthesis and Processing Wuhan University of TechnologyWuhan 430070China Jingdezhen Huaxun Special Ceramics Co.ltd. Jingdezhen 333000China Aerospace Science&Industry Defense Technology Research and Test Center Beijing 100854China

Micrometer-sized diamonds were incorporated into silicon nitride(Si_(3)N_(4))matrix to manufacture high-performance Si_(3)N_(4)-based composites using spark plasma sintering at 1500℃under 50 *** effects of the diamond content on the phase composition,microstructure,mechanical properties and thermal conductivity of the composites were *** results showed that the addition of diamond could effectively improve the hardness of the *** thermal conductivity of Si_(3)N_(4)increased to 52.97 W/m·k at the maximum with the addition of 15 wt%diamond,which was 27.5%higher than that of the monolithic Si_(3)N_(4).At this point,the fracture toughness was 7.54 MPa·m^(1/2).Due to the addition of diamond,the composite material generated a new substance,MgSiN2,which effectively combined Si_(3)N_(4)with ***2 might improve the hardness and thermal conductivity of the materials.

关键词： spark plasma sintering Si_(3)N_(4) diamond thermal conductivity mechanical properties

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Constructing electron-blocking grain boundaries in garnet to suppress lithium dendrite growth

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Journal of advanced Ceramics 2024年第2期13卷 166-175页

作者： Xing Xiang Zecheng Fang Congkun Du Zhenzhen Zhao Jiajia Chen Yanhua Zhang Huihu Wang Chenhuinan Wei Fei Chen Qiang Shen Hubei Provincial Key Laboratory of Green Materials for Light Industry Hubei University of TechnologyWuhan 430068China Hubei Longzhong Laboratory Wuhan University of Technology Xiangyang Demonstration ZoneXiangyang 441000China Collaborative Innovation Center of Green Light-weight Materials and Processing Hubei University of TechnologyWuhan 430068China New Materials and Green Manufacturing Talent Introduction and Innovation Demonstration Base Hubei University of TechnologyWuhan 430068China State Key Lab of Advanced Technology for Materials Synthesis and Processing Wuhan University of TechnologyWuhan 430070China

Li_(7)La_(3)Zr_(2)O_(12)(LLZO)is considered as a promising solid-state electrolyte due to its high ionic conductivity,wide electrochemical window,and excellent electrochemical ***,its application in solid-state lithium metal batteries(SSLMBs)is impeded by the growth of lithium dendrites in LLZO due to some reasons such as its high electronic *** this study,lithium fluoride(LiF)was introduced into Ta-doped LLZO(LLZTO)to modify its grain boundaries to enhance the performance of SSLMBs.A nanoscale LiF layer was uniformly coated on the LLZTO grains,creating a threedimensional continuous electron-blocking network at the grain *** from the electronic insulator LiF and the special structure of the modified LLZTO,the symmetric cells based on LLZO achieved a high critical current density(CCD)of 1.1 mA·cm^(-2)(in capacity-constant mode)and maintained stability over 2000 h at 0.3 mA·cm^(-2).Moreover,the full cells combined with a LiFePO_(4)(LFP)cathode,demonstrated excellent cycling performance,retaining 97.1% of capacity retention after 500 cycles at 0.5 ***,this work provides a facile and effective approach for preparing a modified electrolyte suitable for high-performance SSLMBs.

关键词： solid electrolyte garnet lithium dendrite microstructure solid-state batteries

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In Situ Reaction Strengthening and Toughening of B_(4)C/TiSi_(2)Ceramics

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Journal of Wuhan University of technology(materials Science) 2023年第1期38卷 12-19页

作者：夏涛涂晓诗张帆 ZHANG Jinyong REN Lin Hubei Longzhong Laboratory Wuhan University of TechnologyXiangyang Demonstration ZoneXiangyang 441000China State Key Laboratory of Advanced Technology for Materials Synthesis and Processing Wuhan University of TechnologyWuhan 430070China School of Science Wuhan University of TechnologyWuhan 430070China

B_(4)C-SiC-TiB_(2)ceramics were prepared by in situ reactive hot-pressing sintering with TiSi_(2)as an *** reaction pathways of TiSi_(2)and B_(4)C were *** sintering was found to be a multistep *** reaction started at approximately 1000℃,and TiB_(2)was formed *** of Si and C started to react at 1300℃,and the unreacted Si melted at 1400℃to form a liquid ***_(2)predominantly affected the intermediate sintering process of B_(4)C and increased the sintering *** to the unique reaction process of TiSi_(2)and B_(4)C,a large number of aggregates composed of SiC and TiB_(2)were *** results showed that composite ceramics with the optimal flexural strength of 807 MPa,fracture toughness of 3.2 MPa·m1/2,and hardness of 32 GPa,were obtained when the TiSi_(2)content was 10 wt%.

关键词： in situ reaction hot pressing sintering TiSi_(2) B_(4)C composite ceramics reaction mechanism

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Tuning Active Metal Atomic Spacing by Filling of Light Atoms and Resulting Reversed Hydrogen Adsorption-Distance Relationship for Efficient Catalysis

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Nano-Micro Letters 2023年第10期15卷 151-162页

作者： Ding Chen Ruihu Lu Ruohan Yu Hongyu Zhao Dulan Wu Youtao Yao Kesong Yu Jiawei Zhu Pengxia Ji Zonghua Pu Zongkui Kou Jun Yu Jinsong Wu Shichun Mu State Key Laboratory of Advanced Technology for Materials Synthesis and Processing Wuhan University of TechnologyWuhan 430070People’s Republic of China NRC(Nanostructure Research Centre) Wuhan University of TechnologyWuhan 430070People’s Republic of China

Precisely tuning the spacing of the active centers on the atomic scale is of great significance to improve the catalytic activity and deepen the understanding of the catalytic mechanism,but still remains a ***,we develop a strategy to dilute catalytically active metal interatomic spacing(d_(M-M))with light atoms and discover the unusual adsorption *** example,by elevating the content of boron as interstitial atoms,the atomic spacing of osmium(d_(Os-Os))gradually increases from 2.73 to 2.96?.More importantly,we find that,with the increase in dOs-Os,the hydrogen adsorption-distance relationship is reversed via downshifting d-band states,which breaks the traditional cognition,thereby optimizing the H adsorption and H_2O dissociation on the electrode surface during the catalytic process;this finally leads to a nearly linear increase in hydrogen evolution reaction ***,the maximum dOs-Os of 2.96?presents the optimal HER activity(8 mV@10 mA cm^(-2))in alkaline media as well as suppressed O adsorption and thus promoted *** is believed that this novel atomic-level distance modulation strategy of catalytic sites and the reversed hydrogen adsorption-distance relationship can shew new insights for optimal design of highly efficient catalysts.

关键词： Electrocatalysis DFT calculation Interstitial filling Hydrogen evolution Structure–activity relationships

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Reduced water dissociation barrier on constructing Pt-Co/CoO_(x)interface for alkaline hydrogen evolution

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Nano Research 2022年第6期15卷 4958-4964页

作者： Yandong Wang Wei Wu Runzhe Chen Caoxin Lin Shichun Mu Niancai Cheng College of Materials Science and Engineering Fuzhou UniversityFuzhou 350108China State Key Laboratory of Advanced Technology for Materials Synthesis and Processing Wuhan University of TechnologyWuhan 430070China

Water dissociation process is generally regarded as the rate-limiting step for alkaline hydrogen evolution reaction(HER),and severely inhibits the catalytic efficiency of Pt based *** overcome this problem,the in-situ constructed interfaces of PtCo alloy and amorphous cobalt oxide(CoO_(x))on the carbon powder are *** amorphous CoO_(x)at Pt-Co/CoO_(x)interfaces not only provide active sites for water dissociation to facilitate Volmer step,but also produce the strong electronic transfer with ***,the obtained interfacial catalysts exhibit outstanding alkaline HER performance with a Tafel slope of 29.3 mV·dec^(−1)and an ultralow overpotential of only 28 mV at 10 mA·cm^(−2).Density functional theory(DFT)reveals that the electronic accumulation on the interfacial Co atom in Pt-Co/CoO_(x)constructing the novel active site for water *** to the Pt-Co,all of the energy barriers for water adsorption,water dissociation and hydrogen adsorption/desorption are reduced in Pt-Co/CoO_(x)interfaces,suggesting a boosted HER kinetics for alkaline HER.

关键词： interfacial construction amorphous cobalt oxide water dissociation dual active site electronic regulation

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Serrated lithium fluoride nanofibers-woven interlayer enables uniform lithium deposition for lithium-metal batteries

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National Science Review 2022年第11期9卷 194-207页

作者： Shuangshuang Tan Yalong Jiang Shuyan Ni Hao Wang Fangyu Xiong Lianmeng Cui Xuelei Pan Chen Tang Yaoguang Rong Qinyou An Liqiang Mai State Key Laboratory of Advanced Technology for Materials Synthesis and Processing Wuhan University of Technology College of Materials Science and Engineering Chongqing University Wuhan National Laboratory for Optoelectronics Huazhong University of Science and Technology Foshan Xianhu Laboratory of the Advanced Energy Science and Technology Guangdong Laboratory

The uncontrollable formation of Li dendrites has become the biggest obstacle to the practical application of Li-metal anodes in high-energy rechargeable Li batteries. Herein, a unique LiF interlayer woven by millimeter-level, single-crystal and serrated LiF nanofibers（NFs） was designed to enable dendrite-free and highly efficient Li-metal deposition. This high-conductivity Li F interlayer can increase the Li+transference number and induce the formation of 'Li F–NFs-rich' solid–electrolyte interface（SEI）. In the 'Li F–NFs-rich'SEI, the ultra-long Li F nanofibers provide a continuously interfacial Li+transport path. Moreover, the formed Li–LiF interface between Li-metal and SEI film renders low Li nucleation and high Li+migration energy barriers, leading to uniform Li plating and stripping processes. As a result, steady charge–discharge in a Li//Li symmetrical cell for 1600 h under 4 m Ah cm-2and 400 stable cycles under a high area capacity of 5.65 mAh cm-2in a high-loading Li//rGO–S cell at 17.9 mA cm-2could be achieved. The free-standing LiF –NFs interlayer exhibits superior advantages for commercial Li batteries and displays significant potential for expanding the applications in solid Li batteries.

关键词： lithium fluoride serrated nanofibers LiF interlayer uniform Li deposition lithium-metal batteries

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Reduced graphene oxide-induced in-situ uniform growth of hydrated WO_(3) film for enhanced electrochromic performance

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Nano Research 2025年第4期18卷 569-577页

作者： Rui Fang Yang Liu Chunyu Shi Huihui Jin Zibo Chen Haohao Sun Ben Lv Daping He Xusheng Zheng Yuli Xiong State Key Laboratory of Advanced Technology for Materials Synthesis and Processing School of Materials Science and EngineeringWuhan University of TechnologyWuhan 430070China School of Science Wuhan University of TechnologyWuhan 430070China National Synchrotron Radiation Laboratory University of Science and Technology of ChinaHefei 230029China Sanya Science and Education Innovation Park of Wuhan University of Technology Sanya 572000China School of Materials Science and Engineering Wuhan University of TechnologyWuhan 430070China

WO_(3)-graphene electrochromic materials are widely used in electrochromic devices including smart windows and electronic displays,due to their ability to adjust optical transmittance in the visible and near-infrared ranges under low electrode ***,the uniformity of the film remains a challenge for the widely used physical mixing-coating *** this study,we present a two-dimensional material-assisted synthesis of a porous hydrated WO_(3) film(WH-rGO)based on reduced graphene oxide(rGO)nanosheets and WO_(3)(rGO-WO_(3))seed layer via a hydrothermal *** incorporation of rGO not only promotes the uniform growth of hydrated WO_(3) film,enhancing ion transport but also introduces oxygen vacancies,creating an efficient conduction pathway for charge *** resulting WH-rGO film exhibits impressive performance,achieving 71% optical modulation at 700 nm,with bleaching and coloring times of 4.2 and 1.0 *** coloration efficiency is calculated at 156.11 cm^(2)·C^(-1),and the optical modulation is maintained at 93% of the initial optical modulation after 1000 cycles applied in the +1.0 and -1.1 V potential *** work offers new insights into the role of oxygen vacancies in enhancing the electrochromic properties of hydrated WO_(3) films through the addition of *** also provides a promising approach for the synthesis of electrochromic materials,facilitating their application in smart window technologies.

关键词： electrochromic film hydrated tungsten oxide reduced graphene oxide oxygen vacancy

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基于织构工程优化的n型Ag2Se薄膜热电性能增强研究（英文）

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Science China materials 2025年第5期68卷 1630-1637页

作者：张新洋贺丹琪陈李莎黄同露叶先锋李浩天朱婉婷聂晓蕾余健张玉魏平赵文俞张清杰 State Key Laboratory of Advanced Technology for Materials Synthesis and Processing Wuhan University of Technology Hubei Key Laboratory of Theory and Application of Advanced Materials Mechanics Wuhan University of Technology School of Materials Science and Engineering Jiujiang University Foshan Xianhu Laboratory of the Advanced Energy Science and Technology Guangdong Laboratory

柔性热电发电技术日益被认为是为可穿戴电子设备供电的有效解决方案.然而,n型柔性薄膜的性能局限性限制了其更广泛的应用.本研究通过织构工程技术获得了高性能n型Ag2Se薄膜,在300 K时,功率因子高达2.14 mW m-1K-2.我们采用简单的蒸发镀... 详细信息

柔性热电发电技术日益被认为是为可穿戴电子设备供电的有效解决方案.然而,n型柔性薄膜的性能局限性限制了其更广泛的应用.本研究通过织构工程技术获得了高性能n型Ag2Se薄膜,在300 K时,功率因子高达2.14 mW m-1K-2.我们采用简单的蒸发镀膜技术,结合前驱体调控策略,制备了（201）取向的n型Ag2Se薄膜.实验和理论分析均表明,这种择优取向的Ag2Se薄膜具有高迁移率和高Seebeck系数.此外,纳米孔和随机面内取向结构的引入,显著散射了不同波长声子,从而使Ag2Se热导率进一步降低.最终,在363 K时,Ag2Se薄膜ZT值高达0.73.本研究不仅提出了一种调控Ag2Se薄膜晶体取向的策略方法,还为开发高性能热电薄膜材料创造了新的前景.

关键词： Ag2Se film texture engineering preferred orientation electrical properties thermoelectric performance

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