Blocking strategy for metal-azide primary explosives with high EDS safety and detonation ability via fluorinated graphene composite design
Available online 28 November 2025
Several carbon-nanomaterial@metal-azide composites have been achieved to regulate the sensitivity of metal-azide primary explosives. However, the regulation mechanism of carbon nanomaterials on metal-azide...
Screening of natural deep eutectic solvents and their application in FOX-7 recrystallization
Available online 27 November 2025
To screen green solvents suitable for the recrystallization of FOX-7, this study combined the conductor-like screening model for real solvents (COSMO-RS) theory with experimental methods to identify...
Facile Access to Pyrazolo[3,4-d][1,2,3]triazine-2-oxide-based Heat-resistant Energetic Materials via a C-N Bridging Strategy
Available online 26 November 2025
The growing demand for advanced heat-resistant energetic materials in deep mining and aerospace applications has driven significant research efforts. This study presents four novel energetic compounds...
Reactive molecular dynamics study on the fluorination combustion mechanism of Al particles in CF4
Available online 24 November 2025
Combustion of Al in F-containing oxidants possesses some attractive advantages on improving combustion efficiency; however, the mechanism therein has not been fully clarified yet. This study employs...
Transfer learning-enabled density prediction model for energetic molecule screening
Available online 22 November 2025
Identifying candidates with high crystal density using Quantitative Structure-Performance Relationship (QSPR) models is a primary task in screening energetic molecules. However, due to the scarcity...
Synthesis and ionic assembly of 3-methyl-4-nitro-5- (trinitromethyl) isoxazole (MNTI): Exploring a promising melt-cast explosive candidate
Available online 22 November 2025
Poor thermal stability is an inherent drawback of trinitromethyl- derived energetic compounds, and improving their thermal stability remains a core research focus in this field. This study reports the...
Rapid ranking of thermal safety realized by accelerating rate calorimetry correlating with small-scale slow cook-off: A case study of four melt-castable explosives
Available online 20 November 2025
The lack of effective diagnostic tools for thermal safety at the early stage hinders the design of efficient explosives to meet the application demands encountering high-temperature cook-off environments....
Searching for the optimal molar ratio of CL-20/FOX-7 cocrystal via evolutionary algorithm and machine learning
Available online 15 November 2025
In this work, we report the discovery of the most stable cocrystal molar ratio and structure for CL-20/FOX-7 compounds through an innovative workflow integration evolutionary algorithm with machine...
Mechanisms of Jet Formation and Energy Release in Aluminized Explosives: A DEM-FDM Study
Available online 13 November 2025
Understanding the coupled jet dynamics and afterburning reaction of aluminum particles in aluminized explosives remains a challenge due to the ultra-fast interaction, surpassing the resolution capabilities...
Fabrication and regulation of combustion properties for Al-Li composite fuel utilizing copper perfluorooctanoate in solid propellant
Available online 7 November 2025
Alloy based composite fuel has been widely studied for its higher combustion effect and energy release, compared with traditional metal fuels. The doping of organometallic salt was the key to facilitating...
Exploring the effects of inserting heteroatoms (N, O, S) into 9-heterocyclo[3.3.1]nonane frameworks on the properties of their energetic derivatives
Available online 7 November 2025
Bicyclo[3.3.1]nonane scaffold is a privileged ring system frequently encountered in a variety of cage-like compounds. Exploring the synthesis of bicyclo[3.3.1]nonane is of great significance for the...
Nitraminepyrazole ligand boosting ignition and catalytic performance of energetic complexes
Available online 5 November 2025
The development of energetic combustion catalysts as combustion catalysts for ammonium perchlorate (AP) has aroused increasing interest in recent years. In this work, five energetic complexes (1–5)...
Multistage-optimized kinetics-diffusion modeling for solid-liquid denitrification: From predictive control to model validation
Available online 4 November 2025
To analyze the effects of temperature, concentration, and reaction time on the denitration rate of double based spherical gun propellant (DBSGP) and to investigate the denitration reaction-diffusion...
N-functionalization of 3,4-dinitro-1H-pyrazol-5-amine (ADNP): Incorporating nitromethyl and diazidomethyl into energetic pyrazole derivatives
Available online 4 November 2025
In the field of energetic materials, N-functionalization on pyrazoles faces challenges such as low nucleophilicity and harsh reaction conditions. In this study, the N-functionalization on 5-amino-3,4-dinitropyrazole...
Ultra-high energetic covalent CON polymeric structures from first-principles investigations
Available online 27 October 2025
CON polymeric structures are promising high-energy-density materials. Six new CON polymeric structures (P-3m1-C3O3N, Cm-C2O2N, Cmca–CON2, Amm2-CON3, Amm2-CON4 and C2/m-CON5) with the novel 1D chain,...
Tuning energy properties via N-NH2 strategy: Construction of two isomeric energetic compounds based on nitro-substituted pyrazoles
Available online 22 October 2025
The N-site functionalization strategy of nitrogen-rich heterocycles has attracted considerable research attention due to its crucial role in achieving structural diversity and outstanding performance...
Electrochemically facilitated synthesis of 3,3′-diamino-4,4′-azofurazan (DAAF) catalyzed by reduced graphene oxide (rGO): Enhanced efficiency and mechanistic insights
Available online 18 October 2025
The conventional synthesis of azofurazan-based energetic materials relies on rigorous conditions, including high-temperature and the use of strong oxidizing agents (KMnO4/H+). These disadvantages result...
A nitrene strategy for the intermolecular thermolytic cyclization of o-nitroazide to fused pyrazolotriazine
Available online 17 October 2025
Thermolysis is a promising synthetic strategy for compounds inaccessible by direct methods. Herein, a thermolytic cyclization of a pyrazole-based o-nitroazide 3 in weak acids led to the formation of...
Synthesis and oxidation behavior of Al@Ni-Fe core-shell energetic composite powders
Available online 17 October 2025
In this study nickel (Ni) and iron (Fe) co-deposition was performed on Al to produce Al@Ni-Fe core-shell energetic powders using electroless deposition. Energy released from Al@Ni-Fe powders in oxidizing...
Beyond conventional activation barriers: synergistic QM-MD/DFT exploration of fluorinated oxidizer-enhanced hydrocarbon decomposition
Available online 14 October 2025
Hydrocarbon fuels are a major focus of fuel application and research due to the high volumetric calorific value. The addition of ClF3O with strong oxidizability as an initiator in fuels is considered...
Nitropyrazole energetic compounds functionalized with dinitroethyl, trinitromethyl, or oxadiazolyl group: Synthesis, structure and energetic performance
September 2025
Pyrazole derivatives with polynitro groups were extensively researched in energetic material field as they show high energy density and excellent detonation properties, but the specific synthesis process...
Two-step facile access to a novel pyrazole-based high energy density oxidizer via pentanitro-functionalization
September 2025
Green high-energy oxidizers are significant for solid propellants due to the reported health and environmental issues of current halogen-containing benchmark material, ammonium perchlorate. Traditional...
Nitrogen-rich triazine, triazolo and tetrazolo-triazine-based energetic compounds: A new class of fluorinated organic explosives
September 2025
Various nitrogen-rich fluorinated energetic materials based on monocyclic triazine, fused triazolo-triazine, and tetrazolo-triazine backbones were synthesized and fully characterized using multinuclear...
Synthetic chemistry of energetic materials: Evolution, current trends, and AI-driven future
September 2025
Energetic materials are capable of storing vast amounts of chemical energy and releasing it over a very short period of time, leading to an irreplaceable usage in both military and civilian applications....
