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MOLECULES · 2022 ·Vol. 27 ·期 14 ·4466 · IF 4.927

Preparation of the 1-Methylimidazole Borane/Tetrazole System for Hypergolic Fuels

Xue Li,Jun Wu,Fan Fang,Hongping Li,Lei Wang,Hui Wan,Guofeng Guan

Based on the acid–base neutralization, the (1-methylimidazolium)(tetrazol-1-yl)borane was successfully synthesized by taking advantage of the acidity of the tetrazole and the basicity of the 1-methylimidazole borane complex. Through HRMS, NMR, and FT−IR, the structure of synthetic compounds was characterized in detail. Concerning about the (1-methylimidazolium)(tetrazol-1-yl)borane, it had an ignition−delay time of about 25 ms and a density specific impulse over 351 s·g/cm3, making it a suitable candidate for green hypergolic fuels. Moreover, it also demonstrated that introducing tetrazole into the borane could be an appropriate strategy to adjust the performance of the energy of those borane compounds.Keywords:borane;azole;hypergolic fuel;acid–base neutralization

研究领域: 化学 · 材料科学 · 能源研究
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RSC Advances · 2022 ·Vol. 12 ·期 37 ·24163-24171 · IF 4.036

Thermal decomposition of nano Al-based energetic composites with fluorinated energetic polyurethane binders: experimental and theoretical understandings for enhanced combustion and energetic performance

Gang Tang,He Wang,Chunyan Chen,Yabei Xu,Dongping Chen,Dongli Wang,Yunjun Luo,Xiaoyu Li

Energetic composites composed of polymeric binders and metallic fuels are widely used in industrial and military fields, and their performance is largely dependent on the combustion process. Fluorinated energetic polymeric binders can facilitate the combustion of metallic fuels such as aluminum particles and enhance the energetic level of the energetic composites. In this report, fluorinated energetic polyurethanes (FPUs) were applied as binders for energetic composites with aluminum nanoparticles (AlNPs). The fluorinated components in the energetic binder could be a uniform dispersion inside the composites, endowing the composites with decent mechanical properties and high combustion rate. Most significantly, compared with the composites without fluorine, FPU/AlNP energetic composites not only showed a remarkably improved combustion efficiency, but also, surprisingly, a dramatic enhancement in the heat of explosion by 91.2%, despite the low content of fluorine. By analyzing the combustion products together with kinetic simulations derived from chemical reaction neural network (CRNN) modelling, a detailed mechanistic understanding of the combustion process was provided, suggesting the importance of synergistic effects brought by the fluorinated and energetic components.

CAS / MDL: 5124-30-1 822-06-0
研究领域: 材料科学 · 化学工程 · 燃烧科学 · 高能材料
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RSC Advances · 2020 ·Vol. 10 ·期 14 ·8286-8290 · IF 3.119

One-pot synthesis of corolla-shaped gold nanostructures with (110) planes

Xiaochuan Xu,Haipeng Zhang,Bin Liu,Jianhui Yang

In this work, corolla-shaped gold nanostructures with (110) planes were successfully synthesized using ethylenediaminetetraacetic acid (EDTA) and polyvinylpyrrolidone (PVP) as the co-reductants and shape-directing agents. The structure and the mechanism of the nanostructures were investigated by scanning electron microscopy (SEM), transmission electron microscopy (TEM), X-ray diffraction (XRD), X-ray photoelectron spectroscopy (XPS) and electrochemical characterization. On the basis that surface energies of different gold crystallographic planes are in the order γ(111) < γ(100) < γ(110), the (110) plane has the highest surface energy among the low-index planes. The gold nanocrystals with exposed high-energy planes are important in facilitating their potential applications such as highly efficient catalysts. This research is of great significance for the subsequent work on the synthesis of nanocrystals dominated by high-energy crystal planes.

研究领域: 材料科学 · 纳米技术
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APPLIED CATALYSIS B-ENVIRONMENTAL · 2018 · IF 11.698

Photocatalytic degradation of benzene over different morphology BiPO4: Revealing the significant contribution of high–energy facets and oxygen vacancies

Xiuzhen Zheng,Jinghui Wang,Jianjun Liu,Ziqun Wang,Shifu Chen,Xianliang Fu

Wide–band–gap BiPO 4 (BPO) is a promising candidate for photocatalytic degradation of highly stable benzene exhaust. To reveal the effect of the morphology and the oxygen vacancies of BPO on the degradation of benzene, a series of monoclinic BPO samples with the common reported rod– (BPO–R), sheet– (BPO–S), urchin– (BPO–U), and dendrite–like (BPO–D) morphology were synthesized and some oxygen vacancies were introduced in BPO–D. The samples were then used for photocatalytic degradation of gaseous benzene and the mineralization rate of benzene over the samples decreased in order BPO–D (258.6)> BPO–S (48.0)> BPO–U (21.0)> BPO–R (7.3 μmol h –1  m –2 ). BPO–D with a dendritic morphology showed the highest activity. The highly energetic (002), (012), and (031) facets and the oxygen vacancies make great contributions to the high performance of BPO–D, which favor the absorption of BPO–D in long–wavelength range, the adsorption of reactants, the formation of O 2 –· and eventually the interfacial degradation of benzene. The ESR and scavengers tests indicated that O 2 –· and the photogenerated holes are the main active species responsible for the degradation of benzene. This work suggests that increasing the proportion of high–energy crystal facets and introduction of oxygen vacancies are effective strategies to improve the photocatalytic performance of BPO.

研究领域: 材料科学 · 环境科学
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FUEL · 2025 · IF 7.5

High-energy-level electron injection in ZnWO4/ZnO photocatalysts for efficient methane-to-methanol conversion

Lina Dai,Xianglan Dong,Enqi Zhang,Yanduo Liu

Against the backdrop of global energy and environmental challenges, research on the photocatalytic conversion of methane to methanol has made significant progress. ZnO photocatalyst, despite its many advantages, suffers from rapid recombination of photogenerated electrons and holes in single ZnO, leading to low charge separation efficiency and thus limiting the solar energy conversion efficiency. The mixed-crystal heterostructure formed by ZnO and ZnWO 4 significantly improves photocatalytic efficiency by effectively separating and utilizing high-energy-level electrons. The conduction band of ZnWO 4 serves as an ideal “bridge” for the high-energy-level electrons generated on ZnO, enabling these electrons to quickly transfer to the conduction band of ZnWO 4 , thus avoiding rapid relaxation and recombination within the conduction band of ZnO. The optimal sample achieved a methanol yield of 72 μmol/g/h, with a total carbonyl compound yield near 100 μmol/g/h, accounting for 97 % of the entire product system. This opens new avenues in the field and provides a model for the development of related composite photocatalysts, offering hope for significant breakthroughs and progress in energy conversion and utilization.

研究领域: 材料科学 · 能源化学 · 环境科学
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FirePhysChem · 2023 · IF 0

In situ coating of energetic crystals: A compact core-shell structure with highly reduced sensitivity

Binghui Duan,Hongchang Mo,Bojun Tan,Minghui Xu,Xianming Lu,Ning Liu,Bozhou Wang

The weak interfacial interaction and high sensitivity is a longstanding problem for nitramine explosives. Herein, polyhydroxyethyl acrylate nitrate (PANE) was adopted to passivate three nitramine explosives through a facile and efficient in situ polymerization method. The core-shell structure of the PANE-coated composites was confirmed after detailed morphological and structural characterization. As a result, we find that, the hydrophobic PANE shell improved the adhesion work between the explosives and fluoropolymer (F 2314 ) binder because of the enriched interfacial interactions. Besides, 2% PANE can retard the crystal transformation of CL-20 and HMX explosives by 10.7 °C and 4.3 °C, but does not affect the thermal decomposition behavior. The mechanical sensitivity of PANE-coated composites decreased more significantly than raw explosives and the mixed samples. As a typical example, the impact and friction sensitivity of CL-20@PANE composite with 2.0% shell content is practically halved when compared to raw CL-20 with the characteristicheight ( H 50 ) of 32.2 cm and the explosionprobability ( P ) of 50%. This study offers a simple, effective and universal method for design and preparation of energetic composites with high safety performance.

研究领域: 材料科学 · 化学工程 · 安全工程
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Materials Science and Engineering B-Advanced Functional Solid-State Materials · 2025 · IF 4.6

Facial preparation strategy of high-efficiency carbon dots-based anti-ultraviolet and anti-blue light shielding film and its application in LED

Wanting Li,Xilang Jin,Xuehao Ma,Bin Huang,Xinyu Zhang,Xiao Li,Qingfa Si,Weixing Chen

To minimize the harmful effects of ultraviolet (UV) radiation on the skin and eyes, the development of protective films that block UV rays and high-energy blue light (HEBL) while maintaining a high transmittance rate of visible light has become imperative. In this work, hyperbranched polyethyleneimine (hPEI) and hydroxybenzaldehyde were utilized as precursors to prepare carbon dots (CDs) with maximum absorption wavelengths in both the UV and HEBL bands, as well as excellent tolerance and acid/base resistance. In addition, CDs were incorporated into the polyvinyl alcohol (PVA) matrix to form CDs shielding films. The primary mechanism is to utilize C N in CDs to form hydrogen bonds with OH in PVA to fix CDs in PVA. These films achieved maximum UV blocking efficiencies exceeding 98.87 % and HEBL blocking efficiencies over 85.08 %, while the highest visible light transmittance reached 70 %. Furthermore, these films were applied to a light-emitting diode (LED), adjusting the color temperature from cool to warm tones by blocking the 400–470 nm blue light range. This work not only introduces a novel strategy for preparing bifunctional UV absorbers but also paves the way for the advancement of health-oriented lighting solutions.

研究领域: 材料科学 · 光学 · 生物医学工程
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Nature Communications · 2022 ·Vol. 13 ·期 1 ·1-7 · IF 17.694

Tri-explosophoric groups driven fused energetic heterocycles featuring superior energetic and safety performances outperforms HMX

Li Jie,Liu Yubing,Ma Wenqi,Fei Teng,He Chunlin,Pang Siping

The design and synthesis of novel energetic compounds with integrated properties of high density, high energy, good thermal stability and sensitivities is particularly challenging due to the inherent contradiction between energy and safety for energetic compounds. In this study, a novel structure of 4-amino-7,8-dinitropyrazolo-[5,1- d ] [1,2,3,5]-tetrazine 2-oxide (BITE-101) is designed and synthesized in three steps. With the help of the complementary advantages of different explosophoric groups and diverse weak interactions, BITE-101 is superior to the benchmark explosive HMX in all respects, including higher density of 1.957 g·cm −3 , highest decomposition temperature of 295 °C (onset) among CHON-based high explosives to date and superior detonation velocity and pressure ( D : 9314 m·s −1 , P : 39.3 GPa), impact and friction sensitivities ( IS : 18 J, FS : 128 N), thereby showing great potential for practical application as replacement for HMX, the most powerful military explosive in current use.

研究领域: 化学 · 材料科学
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DALTON TRANSACTIONS · 2019 ·Vol. 48 ·期 39 ·14705-14711 · IF 4.052

Combinations of furoxan and 1,2,4-oxadiazole for the generation of high performance energetic materials

Hualin Xiong,Hongwei Yang,Caijin Lei,Pengjiu Yang,Wei Hu,Guangbin Cheng

Several energetic materials, which are composed of furoxan and 1,2,4-oxadiazole backbones, were synthesized by nitrating 3,3′-bis(5-amino-1,2,4-oxadiazol-3-yl)-4,4′-azofuroxan (2) under 100 wt% HNO3 or 100 wt% HNO3/Ac2O followed by a cation metathesis. All synthesized compounds were fully characterized by multinuclear NMR spectroscopy, IR spectroscopy, and elemental analysis, while 3,3′-bis(1,2,4-oxadiazol-5(4H)-one-3-yl)-4,4′-azofuroxan (3) and diammonium 3,3′-bis(5-nitramino-1,2,4-oxadiazole-3-yl)-4,4′-azofuroxan (4a) were confirmed by single crystal X-ray diffraction. The physicochemical and energetic properties of these compounds including density, thermal stability and sensitivity were investigated. Compounds 3 and 4 have high densities (3: 1.90 g cm−3, 4: 1.92 g cm−3), which are comparable to that of HMX (1.91 g cm−3). All energetic compounds show relatively high calculated heat of formation in the range from 504.79 kJ mol−1 to 1405.62 kJ mol−1. Their detonation properties were evaluated by EXPLO5 code using the measured density and calculated heat of formation. Among them, compounds 3 and 4 have good detonation performance (3: D = 8891 m s−1, P = 34.7 GPa, 4: D = 9505 m s−1, P = 41.3 GPa) and acceptable sensitivities (3: IS = 10 J, 4: IS = 4 J), which indicate their potential applications as high-performance energetic materials.

CAS / MDL: 7697-37-2
研究领域: 化学 · 材料科学
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SOLID STATE SCIENCES · 2021 · IF 3.059

Study on the synthesis and optical properties of YIn1-xMnxO3 by N/S doping

Lin Liu,Moying Li,Peng Jiang,Kunyang Cui,Yuqian Wang,Jianlei Kuang,Wenbin Cao

The solid solution of YIn 1- x Mn x O 3 shows intense blue colors as well as excellent properties. In this paper, N- and N/S- doped YIn 1- x Mn x O 3 samples are successfully prepared by the high-energy ball milling method with hexamethylenetetramine (C 6 H 12 N 4 ), urea (CH 4 N 2 O) and thiourea (CH 4 N 2 S). The X-ray diffraction patterns of samples with various anion doping all show single phase and the oxidation state of Mn are maintained as +3. In C 6 H 12 N 4 treated YIn 0.7 Mn 0.3 O 3 , N is in the interstitial site while in CH 4 N 2 O treated YIn 0.7 Mn 0.3 O 3 , N exists in both interstitial site and substitution site. In CH 4 N 2 S treated YIn 0.7 Mn 0.3 O 3 , both S and N are in the substitution site and interstitial site. Due to the anion doping by N and S, the optical properties of the samples are modified and analyzed.

研究领域: 材料科学 · 光学
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Journal of Energetic Materials · 2024 · IF 1.7

Dissolution Properties Of Energetic Materials In The Environmentally Friendly Solvent Cyrene

Jiao Chen,Chunyan Li,Dongjie Liao,Xing Yan,Chongwei An

The solubility of these materials in Cyrene was determined through the laser dynamic method. Experimental results indicate that the solubility order of the four energetic materials is as follows: xFox

CAS / MDL: 64-17-5 53716-82-8
研究领域: 环境科学 · 材料科学
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JOURNAL OF ALLOYS AND COMPOUNDS · 2024 · IF 5.8

High-entropy perovskite quantum dots of rare earth synergy with excellent luminescence stability via high-energy ball milling

Sibo Zhao,Hongchen Qiu,Linjing Jing,Yingtong Guo,Mingliang Li,Gang Shao,Bingbing Fan,Hailong Wang,Hongliang Xu,Hongxia Lu

The problem of low stability and high lead content limit the commercial development of halide perovskite . In this paper, the high-energy ball milling is used to rapidly and efficiently synthesize high-entropy Cs(Pb 1/5 Mn 1/5 Ni 1/5 Zn 1/5 Yb 1/5 )Cl 3 quantum dots (QDs), the introduction of high-entropy and rare earth ions reduces lead content, increases mixing entropy, and synergistically enhances the photoluminescence (PL) intensity and stability of QDs with other ions. Because the increase of entropy enhances the stability, the QDs still have 70 % PL intensity after 60 days of placement. After the QDs are exposed to the ultraviolet lamp for 8 hours, the PL intensity maintains at 67.1 % due to the loss of ligand. Ionic bonds are easily broken in water, so after soaking in water for 8 hours, the PL intensity of the QDs keeps at 32 %. The thermal stability of QDs is maintained well because of physical and chemical stability of rare earth ions. Since ethanol dissolves the ligands on the surface of the QDs, the non-radiative recombination is enhanced, so the PL intensity of QDs remains at 59 % after soaking for 8 hours. This paper provides a new way that further enhances the stability and solves high lead content of all-inorganic perovskite materials.

研究领域: 材料科学 · 光学
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