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Vacancy-Based Defect Regulation for High Thermoelectric Performance in Ge9Sb2Te12-x Compounds

ACS APPLIED materials & INTERFACES 2020年第17期12卷 19664-19673页

作者： Chen, Shuo Bai, Hui Li, Junjie Pan, Wenfeng Jiang, Xianyan Li, Zhi Chen, Zhiquan Yan, Yonggao Su, Xianli Wu, Jinsong Uher, Ctirad Tang, Xinfeng State Key Laboratory of Advanced Technology for Materials Synthesis and Processing Wuhan University of Technology Wuhan 430070 China State Key Laboratory of Advanced Technology for Materials Synthesis and Processing Wuhan University of Technology Wuhan 430070 China State Key Laboratory of Advanced Technology for Materials Synthesis and Processing Wuhan University of Technology Wuhan 430070 China Hubei Nuclear Solid Physics Key Laboratory Department of Physics Wuhan University Wuhan 430072 China Hubei Nuclear Solid Physics Key Laboratory Department of Physics Wuhan University Wuhan 430072 China State Key Laboratory of Advanced Technology for Materials Synthesis and Processing Wuhan University of Technology Wuhan 430070 China Hubei Nuclear Solid Physics Key Laboratory Department of Physics Wuhan University Wuhan 430072 China State Key Laboratory of Advanced Technology for Materials Synthesis and Processing Wuhan University of Technology Wuhan 430070 China State Key Laboratory of Advanced Technology for Materials Synthesis and Processing Wuhan University of Technology Wuhan 430070 China State Key Laboratory of Advanced Technology for Materials Synthesis and Processing Wuhan University of Technology Wuhan 430070 China Department of Physics University of Michigan Ann Arbor Michigan 48109 United States State Key Laboratory of Advanced Technology for Materials Synthesis and Processing Wuhan University of Technology Wuhan 430070 China

Defect engineering is the core strategy for improving thermoelectric properties. Herein, cation doping along with modulation of cation vacancy has been developed in GeTe-based materials as an effective method to induce vacancy-based defects to boost their thermoelectric performance. A series of ternary compounds of Ge9Sb2Te12-x (x = 0, 0.03, 0.06, 0.09, 0.12, 0.15) was prepared by vacuum-melting and annealing combined with the spark plasma sintering (SPS) process. The role of Sb doping and cation vacancy on thermoelectric properties was systematically investigated. It is found that alloying Sb2Te3 into GeTe increases the concentration of cation vacancies, which is corroborated by both positron annihilation measurements and theoretical calculations. The vacancies, stacking faults, and planar defect interactions determine the thermoelectric transport properties. Adjusting the deficiency of Te effectively tunes the concentration of cation vacancies and dopant defects in the structure. In turn, this tunes the carrier concentration close to its optimum. A high power factor of 32.6 mu W cm(-1) K-2 is realized for Ge9Sb2Te11.91 at 725 K. Moreover, large strains induced by the defect structures, including Sb dopant, vacancy, staking faults, as well as planar defects intensify phonon scattering, leading to a significant decrease in the thermal conductivity from 7.6 W m(-1) K-1 for pristine GeTe to Ge9Sb2Te11.85 at room temperature. All of the above contribute to a high ZT value of 2.1 achieved for the Ge9Sb2Te11.91 sample at 775 K.

关键词： GeTe-based compounds alloying with Sb2Te3 deficiency of Te stacking fault vacancy plane thermoelectric

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Multi-functional layered double hydroxides supported by nanoporous gold toward overall hydrazine splitting

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Frontiers of Chemical Science and Engineering 2024年第1期18卷 61-69页

作者： Yongji Qin Huijie Cao Qian Liu Shaoqing Yang Xincai Feng Hao Wang Meiling Lian Dongxing Zhang Hua Wang Jun Luo Xijun Liu ShenSi Lab Shenzhen Institute for Advanced StudyUniversity of Electronic Science and Technology of ChinaShenzhen 518110China Institute for New Energy Materials and Low-Carbon Technologies School of Materials Science and EngineeringTianjin University of TechnologyTianjin 300384China State Key Laboratory of Featured Metal Materials and Life-cycle Safety for Composite Structures Guangxi Key Laboratory of Processing for Non-ferrous Metals and Featured MaterialsSchool of ResourcesEnvironment and MaterialsGuangxi UniversityNanning 530004China Institute for Advanced Study Chengdu UniversityChengdu 610106China China National Coal Group Corporation Beijing 100120China Tianjin Engineering Research Center of Civil Aviation Energy Environment and Green Development School of Transportation Science and EngineeringCivil Aviation University of ChinaTianjin 300300China

Layered double hydroxides have demonstrated great potential for the oxygen evolution reaction,which is a crucial half-reaction of overall water ***,it remains challenging to apply layered double hydroxides in other electrochemical reactions with high efficiency and ***,we report two-dimensional multifunctional layered double hydroxides derived from metalorganic framework sheet precursors supported by nanoporous gold with high porosity,which exhibit appealing performances toward oxygen/hydrogen evolution reactions,hydrazine oxidation reaction,and overall hydrazine *** as-prepared catalyst only requires an overpotential of 233 mV to reach 10 mA·cm^(-2) toward oxygen evolution *** overall hydrazine splitting cell only needs a cell voltage of 0.984 V to deliver 10 mA·cm^(-2),which is far more superior than that of the overall water splitting system(1.849 V).The appealing performances of the catalyst can be contributed to the synergistic effect between the metal components of the layered double hydroxides and the supporting effect of the nanoporous gold substrate,which could endow the sample with high surface area and excellent conductivity,resulting in superior activity and stability.

关键词： layered double hydroxide oxygen evolution reaction hydrazine oxidation reaction overall hydrazine splitting hydrogen production

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Structure and Tribological Evolution of Ta-N Layer by Controlling the Time of Microwave Plasma Nitriding

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SSRN 2024年

作者： Li, Jiacheng Xu, Zhigang Peng, Jian Shen, Qiang Wang, Chuanbin State Key Lab of Advanced Technology for Materials Synthesis and Processing Wuhan University of Technology Wuhan430070 China Chaozhou Branch of Chemistry and Chemical Engineering Guangdong Laboratory Guangdong Chaozhou521000 China

The Ta-N layer on the Ta matrix surface was synthesized using microwave plasma nitriding (MPN) to enhance its wear resistance. The effects of holding time on the phase composition, morphology, mechanical properties, friction, and wear of the nitriding layers were systematically examined. The results revealed that nanocrystalline Ta-N layers with a dense surface and low roughness were successfully fabricated. The thickness of the Ta-N layer increased from 0.87 μm to 4.23 μm with prolonged holding time. The hardness of the Ta-N layer increased first and then decreased with the extension of holding time, and reached the maximum at 4h. Friction and wear test results indicated that the Ta-N layer exhibited superior wear resistance at the holding time of 4 h, which was mainly attributed to the synergy of dense structure and the generation of the nanocrystal. In conclusion, the Ta-N layer with the desired hardness and wear resistance was obtained due to MPN treatment, which offered excellent surface protection for the Ta matrix in terms of wear resistance. © 2024, The Authors. All rights reserved.

关键词： Nanocrystals

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Interface passivation engineering for hybrid perovskite solar cells

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materials Reports(Energy) 2021年第4期1卷 22-33页

作者： Wenjian Shen Yao Dong Fuzhi Huang Yi-Bing Cheng Jie Zhong Foshan Xianhu Laboratory of the Advanced Energy Science and Technology Guangdong Laboratory Foshan528216Guangdong ProvincePR China State Key Laboratory of Advanced Technology for Materials Synthesis and Processing Wuhan University of TechnologyWuhan430070PR China

The allure of high efficiency and low-temperature solution-processed organic-inorganic hybrid perovskite solar cells(PSCs)are inspiring scientists to seek for its *** passivation engineering has become an effective way to further enhance the efficiency and stability of PSCs by defect passivation,reduces the charge recombination and ion migration initiation and hysteresis control,***,we have summarized the effects and recent research progress of interface passivation engineering in *** passivation layers can be realized by using the solution and/or vacuum evaporation processes which are very adaptable to varied materials with different properties and fabrication processes for enhanced photovoltaic performance and stability.

关键词： Perovskite solar cells Charges recombination Interface passivation engineering Hysteresis effect PSCs stability Solution processes Vacuum evaporation

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Defects enriched hollow porous Co-N-doped carbons embedded with ultrafine CoFe/Co nanoparticles as bifunctional oxygen electrocatalyst for rechargeable flexible solid zinc-air batteries

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Nano Research 2021年第3期14卷 868-878页

作者： Zhao Lei Yangyang Tan Zeyi Zhang Wei Wu Niancai Cheng Runzhe Chen Shichun Mu Xueliang Sun College of Materials Science and Engineering Fuzhou UniversityFuzhou350108China State Key Laboratory of Advanced Technology for Materials Synthesis and Processing Wuhan University of TechnologyWuhan430070China Department of Mechanical and Materials Engineering The University of Western OntarioLondonONN6A 5B9Canada

The construction and design of highly efficient and inexpensive bifunctional oxygen electrocatalysts substitute for noble-metal-based catalysts is highly desirable for the development of rechargeable Zn-air battery(ZAB).In this work,a bifunctional oxygen electrocatalysts of based on ultrafine CoFe alloy(4-5 nm)dispersed in defects enriched hollow porous Co-N-doped carbons,made by annealing SiO2 coated zeolitic imidazolate framework-67(ZIF-67)encapsulated Fe *** hollow porous structure not only exposed the active sites inside ZIF-67,but also provided efficient charge and mass *** strong synergetic coupling among high-density CoFe alloys and Co-N_(x) sites in Co,N-doped carbon species ensures high oxygen reduction reaction(ORR)and oxygen evolution reaction(OER)***-principles simulations reveal that the synergistic promotion effect between CoFe alloy and Co-N site effectively reduced the formation energy of from O^(*)to OH^(*).The optimized CoFe-Co@PNC exhibits outstanding electrocatalytic stability and activity with the overpotential of only 320 mV for OER at 10 mA·cm^(−2) and the half-wave potential of 0.887 V for ORR,outperforming that of most recent reported bifunctional electrocatalysts.A rechargeable ZAB constructed with CoFe-Co@PNC as the air cathode displays long-term cyclability for over 200 h and high power density(152.8 mW·cm^(−2)).Flexible solid-state ZAB with our CoFe-Co@PNC as the air cathode possesses a high open circuit potential(OCP)up to 1.46 V as well as good bending *** universal structure design provides an attractive and instructive model for the application of nanomaterials derived from MOF in the field of sustainable flexible energy applications device.

关键词： oxygen reduction reaction ultrafine CoFe alloy hollow porous carbons zeolitic imidazolate framework-67 Zn-air battery

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Phosphate-Based Ionic Liquids for advanced Interface Modification in Perovskite Photovoltaics: Novel Insights for Ionic Liquid Molecule Design

SSRN

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SSRN 2024年

作者： Yang, Guo Wang, Fei Zhou, Chao Sun, Yonggui Wang, Taomiao Li, Qiannan Li, Yongjun Liang, Xiao Zhou, Xianfang Zhu, Quanyao Lin, Haoran Hu, Hanlin Hoffmann Institute of Advanced Materials Shenzhen Polytechnic University 7098 Liuxian Boulevard Shenzhen518055 China State Key Laboratory of Advanced Technology for Materials Synthesis and Processing School of Materials Science and Engineering Wuhan University of Technology Wuhan China

Interface modification stands out as a crucial method to enhance the performance of perovskite solar cells. This study explores the utilization of the ionic liquid 1-Methyl-3-propylimidazolium phosphate (MPIMPH), containing phosphate (PO43-) groups, as a modifier for SnO2/perovskite interfaces. Detailed investigations delve into the specific impact of IL MPIMPH on defects in tin dioxide, perovskite defects, perovskite crystallization, morphology, and overall device performance. Initially, Density Functional Theory (DFT) is employed to evaluate the defect passivation potential of different anions on tin vacancies within the SnO2 matrix, revealing the exceptional defect passivation ability of the PO43- group. Chemical interactions between ILs MPIMPH and SnO2, as well as perovskite, are confirmed, establishing a fundamental basis for interface defect passivation. ILs-based interface modification enhances interface contact, influencing the lead iodide conversion into perovskite and perovskite crystallization, ultimately leading to the formation of high-quality perovskite thin films. ILs also effectively suppress interfacial charge recombination and optimize the energy alignment of the SnO2/perovskite interface to enhance carrier extraction. Benefiting from the interface modification with ILs, the optimized device achieved an impressive device efficiency of 24.24% with remarkable durability. This work provides an novel aspect for designing ionic liquids to enhance interface modification, contributing to upscaling and application of perovskite photovoltaics. © 2024, The Authors. All rights reserved.

关键词： Perovskite

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Tuning the dual-active sites of ZIF-67 derived porous nanomaterials for boosting oxygen catalysis and rechargeable Zn-air batteries

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Nano Research 2021年第7期14卷 2353-2362页

作者： Zeyi Zhang Yangyang Tan Tang Zeng Liyue Yu Runzhe Chen Niancai Cheng Shichun Mu Xueliang Sun 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 Department of Mechanical and Materials Engineering University of Western OntarioLondonON N6A 5B9Canada

The rational control of the active site of metal-organic frameworks(MOFs)derived nanomaterials is essential to build efficient bifunctional oxygen reduction/evolution reaction(ORR/OER)***,through designing and constructing a Co_(3)O_(4)-Co heterostructure embedded in Co,N co-doped carbon polyhedra derived(Co_(3)O_(4)-Co@NC)from the in-situ compositions of ZIF-67 and cobalt nanocrystals synthesized by the strategy of in-situ NaBH4 reduction,the dual-active site(Co_(3)O_(4)-Co and Co-N_(x))is synchronously realized in a MOFs derived *** formed Co_(3)O_(4)-Co@NC shows excellent bifunctional electrocatalytic activity with ultra-small potential gap(ΔE=E_(j=10)(OER)–E_(1/2)(ORR))of 0.72 V,which surpasses the commercial Pt/C and RuO_(2) *** theory calculation results reveal that the excellent bifunctional electrocatalytic activity can be attributed to the charge redistribution of Co of Co-N_(x) induced by the synergistic effects of well-tuned active sites of Co_(3)O_(4)-Co nanoparticle and Co-N_(x),thus optimizing the rate-determining step of the desorption of O_(2)^(*)intermediate in ORR and OH^(*)intermediate in *** rechargeable Zn-air batteries with our bifunctional catalysts exhibit superior performance as well as high cycling *** simple-effective optimization strategy offers prospects for tuning the active site of MOF derived bifunctional catalyst in electrochemical energy devices.

关键词： dual-active sites bifunctional oxygen electrocatalysts metal−organic frameworks Zn-air batteries density functional theory(DFT)

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Microstructure and tribological properties of -oriented 3C-SiC by chemical vapor deposition

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Ceramics International 2025年

作者： Yang, Wenxuan Huang, Wei Li, Cuicui Wang, Chongjie Zhang, Chitengfei Tu, Rong Zhang, Song Hubei Longzhong Laboratory No.101 Luming Road Xiangyang441000 China State Key Laboratory of Advanced Technology for Materials Synthesis and Processing Wuhan University of Technology Wuhan430070 China Hubei Technology Innovation Center for Advanced Composites Wuhan430070 China

Highly -oriented 3C-SiC coatings were fabricated by chemical vapor deposition method at different temperatures. As deposition temperature increased from 1473 K to 1773 K, the surface structure of -oriented 3C-SiC transitioned from hexagonal structure with sixfold symmetry to hill-like structure, and finally to conical porous surface composed of stacked short rods. Owing to alteration of surface structure, the hardness of 3C-SiC coatings presented a trend of initially increasing and subsequently decreasing. The 3C-SiC coating deposited at 1673 K possessed the highest hardness, with a value of 42.08 GPa. The average friction coefficient for 3C-SiC/Si3N4 pair ranged from 0.258 to 0.569. The wear rate and hardness exhibited opposite trends. Compared with 3C-SiC coatings prepared at the other three temperatures, the 3C-SiC coating deposited at 1573 K exhibited the lowest wear rate under loads of 5 N, 10 N, and 15 N. Furthermore, the lowest wear rate, recorded at 15 N, was 4.1 × 10−6 mm3/Nm, attributed to high hardness and uniform grain size. The wear mechanism of -oriented 3C-SiC coatings during dry sliding primarily involved fracture, leading to fatigue and third-body wear. © 2025 Elsevier Ltd and Techna Group S.r.l.

关键词： Rockwell hardness

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Designing polymer nanocomposites with high energy density using machine learning

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npj Computational materials 2021年第1期7卷 999-1007页

作者： Zhong-Hui Shen Zhi-Wei Bao Xiao-Xing Cheng Bao-Wen Li Han-Xing Liu Yang Shen Long-Qing Chen Xiao-Guang Li Ce-Wen Nan State Key Laboratory of Advanced Technology for Materials Synthesis and Processing Center of Smart Materials and DevicesWuhan University of TechnologyWuhanChina International School of Materials Science and Engineering Wuhan University of TechnologyWuhanChina Hefei National Laboratory for Physical Sciences at the Microscale Department of Physics and CAS Key Laboratory of Strongly-Coupled Quantum Matter Physics University of Science and Technology of China HefeiChina Department of Materials Science and Engineering The Pennsylvania State UniversityUniversity ParkPAUnited States School of Materials Science and Engineering State Key Lab of New Ceramics and Fine ProcessingTsinghua UniversityBeijingChina

Addressing microstructure-property relations of polymer nanocomposites is vital for designing advanced dielectrics for electrostatic energy ***,we develop an integrated phase-field model to simulate the dielectric response,charge transport,and breakdown process of polymer ***,based on 6615 high-throughput calculation results,a machine learning strategy is schemed to evaluate the capability of energy *** find that parallel perovskite nanosheets prefer to block and then drive charges to migrate along with the interfaces in x-y plane,which could significantly improve the breakdown strength of polymer *** verify our predictions,we fabricate a polymer nanocomposite P(VDF-HFP)/Ca_(2)Nb_(3)O_(10),whose highest discharged energy density almost doubles to 35.9 J cm^(−3) compared with the pristine polymer,mainly benefit from the improved breakdown strength of 853 MVm^(−1).This work opens a horizon to exploit the great potential of 2D perovskite nanosheets for a wide range of applications of flexible dielectrics with the requirement of high voltage endurance.

关键词： polymer energy perovskite

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Improvement of Mechanical Properties and Wall Thickness Uniformity of Hollow Ceramic Spheres by Biaxial Rotation Slurry Injection technology

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Journal of Wuhan University of technology(materials Science) 2025年第3期 619-626页

作者：王秋阳周建 LIU Guizhen WANG Lin DING Zhongjun State Key Laboratory of Advanced Technology for Materials Synthesis and Processing Wuhan University of Technology National Deep Sea Center

Ceramic hollow spheres have great potential for deep-sea ***,the irregularity of the conventional molding process,among other reasons,results in low wall thickness uniformity of hollow *** solve this problem,in this work,we developed a biaxial rotation grouting process for deep-sea ceramic hollow buoyancy spheres,which improves the drawbacks of the traditional rotary grouting method that results in poor wall thickness uniformity of the hollow spheres due to its irregular rotational *** this paper,an experimental study was carried out to investigate the effects of different rotational methods,rotational speeds,rotational time,solid phase content,*** the wall thickness uniformity of ceramic hollow *** results show that the hollow floating balls prepared by the biaxial rotation method have the lowest wall thickness standard deviation (0.04) when the rotation speed is 60 rpm,the molding time is 8 min,and the solid phase content is 70 wt%.After the hydrostatic pressure test of 120 MPa,the hydrostatic compressive strength of hollow spheres prepared by the biaxial rotation method was increased by 31.67% compared with that of the traditional process.

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