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Hybrid HMX multi-level assembled under the constraint of 2D materials with efficiently reduced sensitivity and optimized thermal stability

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Defence Technology（防务技术） 2024年第9期39卷 123-132页

作者： Xiaomin Song Longjin Huang Rufang Peng Qi Huang Jinjiang Xu Jie Sun Institute of Chemical materials China Academy of Engineering PhysicsMianyang621900China State Key Laboratory of Environment-friendly Energy materials School of Materials Science and EngineeringSouthwest University of Science and TechnologyMianyang621010China

The interfacial interaction between HMX molecules and coating materials is the key to the safety performance of explosives and has received extensive ***,screening suitable coating agents to enhance the interfacial effect to obtain high-energy and low-sensitivity explosives has long been a major *** this work,HMX-PEI/rGO/g-C_(3)N_(4)(HPrGC)composites were innovatively prepared by a multi-level coating strategy of two-dimensional graphite rGO and g-C_(3)N_(4).The g-C_(3)N_(4) used for desensitization has a richπ-conjugated system and shows outstanding ability in reducing friction *** hierarchical structure of HPrGC formed by electrostatic self-assembly andπ-πstacking can effectively dissipate energy accumulation under heat and mechanical stimulation through structural evolution,thus exhibiting a prominent synergistic desensitization effect on *** results show that rGO/gC_(3)N_(4) coating has no effect on the crystal structure and chemical structure of *** importantly,the perfect combination of g-C_(3)N_(4) and rGO endows HPrGC with enhanced thermal stability and ideal mechanical sensitivity(IS:21 J,FS:216 N).Obviously,the new fabrication of HPrGC enriches the variety of desensitizer materials and helps to deepen the understanding of the interaction between explosives and coatings.

关键词： HMX-PEI/rGO/g-C_(3)N_(4) Electrostatic self-assembly π-πstacking Synergistic desensitization

Microstructure and damping properties of LPSO phase dominant Mg-Ni-Y and Mg-Zn-Ni-Y alloys

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Journal of Magnesium and Alloys 2024年第3期12卷 1131-1153页

作者： Ruopeng Lu Kai Jiao Nanting Li Hua Hou Jingfeng Wang Yuhong Zhao College of materials science and engineering North University of ChinaTaiyuan 030051China College of materials science and engineering Taiyuan University of TechnologyTaiyuan 030024China National engineering Research Center for Magnesium Alloys Chongqing UniversityChongqing 400044China College of materials science and engineering Chongqing UniversityChongqing 400044China

This work studied the microstructure,mechanical properties and damping properties of Mg_(95.34)Ni_(2)Y_(2.66) and Mg_(95.34)Zn_(1)Ni_(1)Y_(2.66)alloys *** difference in the evolution of the long-period stacked ordered(LPSO)phase in the two alloys during heat treatment was the *** morphology of the as-cast Mg_(95.34)Ni_(2)Y_(2.66)presented a disordered *** heat treatment at 773 K for 2 hours,the eutectic phase was integrated into the matrix,and the LPSO phase maintained the 18R *** Zn partially replaced Ni,the crystal grains became rounded in the cast alloy,and lamellar LPSO phases and more solid solution atoms were contained in the matrix after heat treatment of the Mg_(95.34)Zn_(1)Ni_(1)Y_(2.66)*** Zn and the heat treatment had a significant effect on *** dislocation internal friction peaks and grain boundary internal friction peaks were found after temperature-dependent damping of the Mg_(95.34)Ni_(2)Y_(2.66)and Mg_(95.34)Zn_(1)Ni_(1)Y_(2.66)*** heat treatment,the dislocation peak was significantly increased,especially in the alloy Mg_(95.34)Ni_(2)Y_(2).*** annealed Mg_(95.34)Ni_(2)Y_(2.66)alloy with a rod-shaped LPSO phase exhibited a good damping performance of 0.14 atε=10^(−3),which was due to the difference between the second phase and solid solution atom *** factors also affected the dynamic modulus of the *** results of this study will help in further development of high-damping magnesium alloys.

关键词： Mg-Ni-Y alloys Mg-Zn-Ni-Y alloys LPSO phase Heat treatment Microstructure Damping properties.

Improvement strategy on thermophysical properties of A_(2)B_(2)O_(7)-type rare earth zirconates for thermal barrier coatings applications:A review

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International Journal of Minerals,Metallurgy and materials 2024年第5期31卷 1147-1165页

作者： Zijian Peng Yuhao Wang Shuqi Wang Junteng Yao Qingyuan Zhao Enyu Xie Guoliang Chen Zhigang Wang Zhanguo Liu Yaming Wang Jiahu Ouyang School of materials science and engineering Harbin Institute of TechnologyHarbin 150001China School of materials and Metallurgical engineering Inner Mongolia University of Science&TechnologyBaotou 014010China

The A_(2)B_(2)O_(7)-type rare earth zirconate compounds have been considered as promising candidates for thermal barrier coating(TBC) materials because of their low sintering rate,improved phase stability,and reduced thermal conductivity in contrast with the currently used yttria-partially stabilized zirconia (YSZ) in high operating temperature *** review summarizes the recent progress on rare earth zirconates for TBCs that insulate high-temperature gas from hot-section components in gas *** on the first principles,molecular dynamics,and new data-driven calculation approaches,doping and high-entropy strategies have now been adopted in advanced TBC materials *** this paper,the solid-state heat transfer mechanism of TBCs is explained from two aspects,including heat conduction over the full operating temperature range and thermal radiation at medium and high *** paper also provides new insights into design considerations of adaptive TBC materials,and the challenges and potential breakthroughs are further highlighted for extreme environmental *** for improving thermophysical performance are proposed in two approaches:defect engineering and material compositing.

关键词： rare earth zirconates thermal barrier coatings defect engineering doping and compositing thermal conductivity thermal expansion

Surface-functionalized hole-selective monolayer for high efficiency single-junction wide-bandgap and monolithic tandem perovskite solar cells

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Journal of Energy Chemistry 2024年第1期88卷 317-326,I0008页

作者： Devthade Vidyasagar Yeonghun Yun Jae Yu Cho Hyemin Lee Kyung Won Kim Yong Tae Kim Sung Woong Yang Jina Jung Won Chang Choi Seonu Kim Rajendra Kumar Gunasekaran Seok Beom Kang Kwang Heo Dong Hoe Kim Jaeyeong Heo Sangwook Lee School of materials science and engineering Kyungpook National UniversityDaegu 41566Republic of Korea Department of materials science and engineering and Optoelectronics Convergence Research CenterChonnam National UniversityGwangju 61186Republic of Korea Department of materials science and engineering Korea UniversitySeoul 02841Republic of Korea Department of Nanotechnology and Advanced materials engineering Sejong UniversitySeoul 05006Republic of Korea

Carbazole moiety-based 2PACz([2-(9H-carbazol-9-yl)ethyl]phosphonic acid)self-assembled monolayers(SAMs)are excellent hole-selective contact(HSC)materials with abilities to excel the charge-transferdynamics of perovskite solar cells(PSCs).Herein,we report a facile but powerful method to functionalize the surface of 2PACz-SAM,by which reproducible,highly stable,high-efficiency wide-bandgap PSCs can be *** 2PACz surface treatment with various donor number solvents improves assembly of 2PACz-SAM and leave residual surface-bound solvent molecules on 2PACz-SAM,which increases perovskite grain size,retards halide segregation,and accelerates hole *** surface functionalization achieves a high power conversion efficiency(PCE)of 17.62%for a single-junction wide-bandgap(~1.77 e V)*** also demonstrate a monolithic all-perovskite tandem solar cell using surfaceengineered HSC,showing high PCE of 24.66%with large open-circuit voltage of 2.008 V and high fillfactor of 81.45%.Our results suggest this simple approach can further improve the tandem device,when coupled with a high-performance narrow-bandgap sub-cell.

关键词： Perovskite solar cells 2PACz Monolithic tandem solar cells Wide bandgap

Low-Volatile Binder Enables Thermal Shock-Resistant Thin-Film Cathodes for Thermal Batteries

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Energy & Environmental materials 2024年第4期7卷 126-134页

作者： Yong Xie Yong Cao Xu Zhang Liangping Dong Xiaojiang Liu Yixiu Cui Chao Wang Yanhua Cui Xuyong Feng Hongfa Xiang Long Qie Laboratory of Electrochemical Power Sources Institute of Electronic Engineering China Academy of Engineering Physics School of materials science and engineering Hefei University of Technology State Key Laboratory of Material Processing and Die & Mold Technology School of Materials Science and Engineering Huazhong University of Science and Technology

Manufacturing thin-film components is crucial for achieving high-efficiency and high-power thermal batteries (TBs).However,developing binders with low-gas production at the operating temperature range of TBs (400-550℃)has proven to be a significant ***,we report the use of acrylic acid derivative terpolymer (LA136D) as a low-volatile binder for thin-film cathode fabrication and studied the chain scission and chemical bondbreaking mechanisms in pyrolysis.

关键词： gas production high-power low-volatile binder thermal battery thin-film cathode

Interface engineering strategy via electron-defect trimethyl borate additive toward 4.7 V ultrahigh-nickel LiNi_(0.9)Co_(0.05)Mn_(0.05)O_(2)battery

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Journal of Energy Chemistry 2024年第5期92卷 639-647页

作者： Yilin Zhang Yuqing Chen Qiu He Jinlong Ke Wei Wang Jian-Fang Wu Peng Gao Yanhua Li Jilei Liu College of materials science and engineering Hunan Joint International Laboratory of Advanced Materials and Technology for Clean EnergyHunan Province Key Laboratory for Advanced Carbon Materials and Applied TechnologyHunan UniversityChangsha 410082HunanChina College of materials science and engineering Sichuan UniversityChengdu 610065SichuanChina School of materials science and engineering Hunan Institute of TechnologyHengyang 421002HunanChina

The Li metal battery with ultrahigh-nickel cathode(LiNi_(x)M_(1-x)O_(2),M=Mn,Co,and x≥0.9)under high-voltage is regarded as one of the most promising approaches to fulfill the ambitious target of 400 Wh/***,the practical application is impeded by the instability of electrode/electrolyte interface and Ni-rich cathode *** we proposed an electron-defect electrolyte additive trimethyl borate(TMB)which is paired with the commercial carbonate electrolyte to construct highly conductive fluorine-and boron-rich cathode electrolyte interface(CEI)on LiNi_(0.9)Co_(0.05)Mn_(0.05)O_(2)(NCM90)surface and solid electrolyte interphase(SEI)on lithium metal *** modified CEI effectively mitigates the structural transformation from layered to disordered rock-salt phase,and consequently alleviate the dissolution of transition metal ions(TMs)and its“cross-talk”effect,while the enhanced SEI enables stable lithium plating/striping and thus demonstrated good compatibility between electrolyte and lithium metal *** a result,the common electrolyte with 1 wt%TMB enables 4.7 V NCM90/Li cell cycle stably over 100 cycles with 70%capacity *** work highlights the significance of the electron-defect boron compounds for designing desirable interfacial chemistries to achieve high performance NCM90/Li battery under high voltage operation.

关键词： NCM90 batteries Electrolyte additive Trimethyl borate

Design of efficient thermoelectric generators

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science China materials 2024年第1期67卷 377-378页

作者： Min Liu Yanzhong Pei Interdisciplinary materials Research Center School of Materials Science and EngineeringTongji UniversityShanghai 201804China

Thermoelectricity,which enables direct conversion between heat and electricity,undergoes impressive developments in recent decades,and is particularly promising for recovering low-grade heat of<600 K[1,2].Currently,only Bi2Te3-based thermoelectric devices are commercialized[3].However,the scarcity of tellurium(Te)(Fig.1a)is the main *** leads to numerous recent efforts on the development of efficient nonBi2Te3 thermoelectrics as potential alternatives,and successful examples(Fig.1b)include Mg3Sb2-alloys[2,3]and MgAgSb[1,2].

关键词： enable efficient electricity

Role of bonding filling on HER/OER/ORR multifunctional catalytic activity in transition-metals-doped PdPX(X=S,Se,Te)

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Rare Metals 2024年第10期43卷 5126-5140页

作者： Hai-Hua Huang Wei Li Cheng-Chao Hu Xue-Qin Sun Lin-Guo Lu Xiao-Feng Fan School of materials science and engineering Laboratory of Sensitive Materials and DevicesShandong Department of EducationLiaocheng University School of Environmental and Material engineering Yantai University Department of Physics University of Puerto Rico Key Laboratory of Automobile materials (Jilin University) Ministry of EducationCollege of Materials Science and EngineeringJilin University

The development of stable and highly efficien multifunctional electrocatalysts for the hydrogen evolution reaction （HER）,oxygen reduction reaction （ORR） and oxygen evolution reaction （OER） are essential for the efficient conversion and storage of renewable *** significant advantages of single-atom catalysts,such as strong metal slab interactions,unsaturated coordination and efficient atomic utilization,have opened new avenues for designing multifunctional ***,based on density functional theory,a single atom doped PdPX system was designed as a multifunctional electrocatalyst,which demonstrated the synergistic effect between defects and transition metal atoms and led to enhanced catalytic *** results showed that PdPS/PdPSe with P/X vacancy,PdPTe with P/Pd vacancy and Co/Rh/Ir@PdPX exhibited promising HER ***@PdPS（Se）,with an overpotential of 0.56（0.44） V,was predicted to be a promising OER ***,Rh（Ir）@PdPS（Se）catalysts exhibited efficient catalytic properties for ORR Besides,Co@PdPS（Se）,Rh（Ir）@PdPSV（S）,Co@PdP-SeV（Se）and Ir@PdPSV（S）-1exihibited multifunctional catalytic performance with moderate ***,the origin of catalytic activity was revealed by using the crystal orbital Hamilton populations *** a strong adsorption system,proper filling of the anti-bonding state can increase the energy of the system,weaken the adsorption strength,and facilitate the desorption of intermediates Conversely,augmenting bonding states can enhance its adsorption *** findings provide theoretica guidance for the design and fabrication of novel multifunctional electrocatalysts in terms of filling of bondingstate.

关键词： Density functional theory Electrocatalyst Two-dimensional PdPX Water splitting

Data driving design of high-entropy alloys for lightweight and dynamic applications

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science China(Physics,Mechanics & Astronomy) 2024年第2期67卷 10-24页

作者： Kaixuan Cui Junwei Qiao Peter KLiaw Yong Zhang State Key Laboratory for Advanced Metals and materials University of Science and Technology BeijingBeijing 100083China College of materials science and engineering Taiyuan University of TechnologyTaiyuan 030024China Department of materials science and engineering University of TennesseeKnoxville TN 37996USA

The topic of high-entropy alloys is one of the focus for both physics and materials ***-entropy alloys were usually defined as solid solution alloys,while the solid solution is different from the traditional terminal solid solution,because the solid solution without solvent element is the dominant *** discovery of high-entropy alloys greatly extended the composition space and the possibility of creating unique micro-and nano-level structures,which can meet the demands of lightweight and dynamic *** relationship between the phases and the parameters for the high-entropy alloys is rather *** data driving design can screen the specific high-entropy *** correlation between the composition and properties of highentropy alloys can be discovered by material genetic engineering and data science.

关键词： phase-formation rules materials genetic engineering lightweight high-entropy alloys dynamic properties