Progress and performance of energetic materials: open dataset, tool, and implications for synthesis

Journal of Materials Chemistry A, Год журнала: 2022, Номер 10(20), С. 11054 - 11073

Опубликована: Янв. 1, 2022

The abundant dataset of detonation parameters for energetic materials is reported, empirical and thermodynamic calculation methods are benchmarked, implications design novel promising compounds provided.

Язык: Английский

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Synthesis, design and development of energetic materials: Quo Vadis?

Chemical Engineering Journal, Год журнала: 2024, Номер 486, С. 150410 - 150410

Опубликована: Март 14, 2024

Язык: Английский

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Recent Advances and Perspectives on Coupled Water Electrolysis for Energy‐Saving Hydrogen Production

Advanced Science, Год журнала: 2025, Номер unknown

Опубликована: Янв. 7, 2025

Abstract Overall water splitting (OWS) to produce hydrogen has attracted large attention in recent years due its ecological‐friendliness and sustainability. However, the efficiency of OWS been forced by sluggish kinetics four‐electron oxygen evolution reaction (OER). The replacement OER alternative electrooxidation small molecules with more thermodynamically favorable potentials may fundamentally break limitation achieve production low energy consumption, which also be accompanied value‐added chemicals than or electrochemical degradation pollutants. This review critically assesses latest discoveries coupled various OWS, including alcohols, aldehydes, amides, urea, hydrazine, etc. Emphasis is placed on corresponding electrocatalyst design related mechanisms (e.g., dual hydrogenation N–N bond breaking hydrazine C═N regulation urea inhibit hazardous NCO − NO productions, etc.), along emerging reactions (electrooxidation tetrazoles, furazans, iodide, quinolines, ascorbic acid, sterol, trimethylamine, etc.). Some new decoupled electrolysis self‐powered systems are discussed detail. Finally, potential challenges prospects highlighted aid future research directions.

Язык: Английский

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Linear furoxan assemblies incorporating nitrobifuroxan scaffold: En route to new high-performance energetic materials

Chemical Engineering Journal, Год журнала: 2023, Номер 470, С. 144144 - 144144

Опубликована: Июнь 24, 2023

Язык: Английский

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Synthesis and Pressure-Induced Structural Phase Transition of Energetic Molecular Perovskite DAI-1

Solid State Sciences, Год журнала: 2025, Номер unknown, С. 107864 - 107864

Опубликована: Фев. 1, 2025

Язык: Английский

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Controlling Energetic Crystal Morphology Using Tailored Polymeric Additives

Crystal Growth & Design, Год журнала: 2025, Номер 25(5), С. 1667 - 1674

Опубликована: Фев. 21, 2025

While much emphasis is placed on chemical structure when deploying a compound for given application, the shape in which crystallizes, its morphology, has also proven influential control of properties that span fields from pharmaceuticals to energetic materials. Outside processability, crystal morphology vital materials because ties explosive sensitivity and performance, stemming influence packing density. Morphology commonly accomplished by altering crystallization conditions (e.g., solvent, temperature, supersaturation) order alter relative growth rates faces. Less employed use additives. Herein, methodology selecting additives explosives investigated based targeting interactions present cocrystals. Specifically, 1,3,5,7-tetranitro-1,3,5,7-tetrazacyclooctane (HMX) was used as model compound; three polymers were selected successfully implemented soluble, face-selective modifiers HMX, structurally similar analogue 3,3,7,7-tetrakis(difluoramino)octahydro-1,5-dinitro-1,5-diazocine (HNFX), nitroguanidine (NQ). These results demonstrate modification both desirable (needle-to-block) undesirable (block-to-needle) directions illustrate general design approach engineering applicable

Язык: Английский

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Energetic heterocyclic N-oxides: synthesis and performance

Mendeleev Communications, Год журнала: 2022, Номер 32(6), С. 703 - 713

Опубликована: Ноя. 1, 2022

Язык: Английский

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Expanding the Limits of Organic Energetic Materials: High-Performance Alliance of 1,3,4-Thiadiazole and Furazan Scaffolds

The Journal of Organic Chemistry, Год журнала: 2023, Номер 89(1), С. 174 - 182

Опубликована: Дек. 11, 2023

A majority of known and newly synthesized energetic materials comprise polynitrogen or nitrogen–oxygen heterocycles with various explosophores. However, available structural combinations these organic scaffolds are finite about to reach their limits. Herein, we present the design synthesis a series sulfur-containing polyazole structures comprising 1,3,4-thiadiazole furazan rings linked by C–C bonds enriched nitro azo functionalities. In terms detonation performance, all 1,3,4-thiadiazole-furazan assemblies (D = 7.7–7.9 km s–1; P 26–28 GPa) lie between powerful explosive TATB 8.0 31 melt-cast material TNT 6.9 23 GPa). series, azo-bridged derivative 5 seems be most practically interesting, as it combines relatively high performance 7.9 28 GPa), very thermal stability (271 °C), insensitivity friction. By functional properties, outperforms benchmark heat-resistant hexanitrostilbene (HNS). To best our knowledge, this is first example an alliance rare case high-energy materials, which can certainly considered evolutionary step in science.

Язык: Английский

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Kinetic modeling of CL-20 decomposition by a chemical reaction neural network

Journal of Analytical and Applied Pyrolysis, Год журнала: 2023, Номер 169, С. 105860 - 105860

Опубликована: Янв. 1, 2023

Язык: Английский

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Impact of regiochemistry in energetic materials science: a case of (nitratomethyl-1,2,3-triazolyl)furazans

Dalton Transactions, Год журнала: 2023, Номер 52(22), С. 7673 - 7683

Опубликована: Янв. 1, 2023

The preparation of multipurpose high-energy materials for space technologies remains a challenging task and such usually require special precautions fine tunability their functional properties. To unveil new opportunities en route to high-performance energetic materials, novel potential melt-castable explosives plasticizers incorporating (1,2,3-triazolyl)furazan scaffold enriched with nitro nitratomethyl explosophoric functionalities were synthesized. successful implementation the regiodivergent approach enabled regioisomeric (nitratomethyltriazolyl)furazans that possessed significantly different physicochemical properties classifying target as substances or plasticizers. Hirshfeld surface calculations supported by energy framework plots also performed better understand relationship between molecular structure sensitivity. All prepared (1,2,3-triazolyl)furazans show high nitrogen-oxygen contents (76-77%), good experimental densities (up 1.72 g cm-3) positive enthalpies formation (180-318 kJ mol-1) resulting in detonation performances (D = 7.1-8.0 km s-1; P 21-29 GPa). Overall, this work unveils strategies construction balanced various applications.

Язык: Английский

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