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....
Polynitro 1,2,3-triazole energetic materials with excellent properties through the combination of hydrogen-rich cation and N-amino group
September 2025
The safety of polynitro 1,2,3-triazole energetic materials is improved by introducing hydrogen-rich cation and N-amino group to strengthen the intermolecular hydrogen bond network. 2-Amino-4-nitro-5-dinitromethyl-1H-1,2,3-triazole...
Nitrogen-rich skeleton reassembled ECOFs as energetic materials with low sensitivities and good corrosion resistance
September 2025
Corrosion between energetic materials and metal containers can accelerate material aging and failure, significantly affecting the safety, reliability, and lifespan of ammunition systems. To address...
Theoretical study of the structure and energy performance of nitroformates and mono-, di-, tri- and tetranitromethanes
September 2025
Using the methods of quantum chemistry and atom-atom potentials, the molecular and crystal structure of a number of nitromethanes and their salts was modeled. Their thermochemical characteristics were...
Understanding how molecular skeletal isomerism affects the stability of energetic fused-ring molecules: A comparative study of ICM-103 and NAPTO
September 2025
For energetic compounds with a specific composition, isomerism represents the significant factor influencing their physicochemical properties. It is therefore becoming increasingly important to gain...
Synthesis and characterization of a new cage-like energetic compound 3,7-dinitrato-9-nitro-9-azanoradamantane
September 2025
Organic cage-like frameworks are important and versatile skeletons for developing prospective energetic compounds because of their high intrinsic density, symmetry, stability, and derivability. In this...
2- Oxaadamantane-4,8,9,10-tetrayl tetranitrate: A novel oxa-type cage-like energetic compound
September 2025
Polynitrooxaadamantanes have a broad application prospect in the field of energetic materials. Herein, a novel cage-like energetic compound, 2-oxaadamantane-4,8,9,10-tetrayl tetranitrate, was synthesized...
First comprehensive study of energetic (methoxy-NNO-azoxy)furazans: Novel synthetic route, characterization, and property analysis
September 2025
This paper provides the first in-depth study of energetic methoxy-NNO-azoxy compounds. 3-Amino-4-(methoxy-NNO-azoxy)furazan (7) is a useful precursor to a number of high-enthalpy substituted (methoxy-NNO-azoxy)furazans...
Construction of fused N-oxide via in situ ring closure strategy: New pathway to high energy low sensitivity energetic compounds
September 2025
A mild and efficient way to form fused N→O moiety by in situ ring closure reaction was proposed and studied. Compared with other methods to synthesize fused N-oxides, the new strategy is much safer...
Advancing thermal stability through positional pyrazole isomerization: Synthesis and characterization of 2’-(1H-pyrazol-4-yl)-1H,2’H-5,5’-bistetrazole and its energetic derivatives
September 2025
The development of energetic compounds with superior comprehensive properties remains a central focus in energetic materials research. By employing positional pyrazole isomerization, we have successfully...
Cover Story
September 2025
Constructing high-performance and stable energetic salts through enhanced conjugation and increased hydrogen bonds
September 2025
The pursuit of novel energetic materials with enhanced energy and safety represents an enduring challenge. Towards this goal, we employed the energetic salts to design and synthesize a metal salt (1)...
Amphoteric feature of 3,5-diamino-6-hydroxy-2-oxide-4-nitropyrimidone and its highly-stable energetic anionic salts
September 2025
Most energetic molecules can only form cations or anions, limiting the structural diversity and performance regulation. In this study, we have presented the interesting amphoteric feature of 3,5-diamino-6-hydroxy-2-oxide-4-nitropyrimidone...
Trifunctional synergy of CuFe2O4 as oxidizer, catalyzer and microwave sensitizer in Ti-based pyrotechnics: Low ignition latency and superior combustion
Available online 29 September 2025
Microwave ignition (MWI) technology enables synchronized large-area multi-point ignition, multi-pulse operation, higher combustion temperature and efficiency, and dynamic thrust modulation through microwave...
Interpretable machine learning for predicting electric spark sensitivity of energetic compounds via molecular and instrument descriptors
Available online 11 September 2025
Accidental ignition of energetic compounds by electrostatic discharge poses significant safety risks, highlighting the need for precise prediction of electric spark sensitivity. Here we develop a novel...
