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Recent Advances in Nitrogen-Rich Energetic Materials: Synthesis, Structure, and Properties
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Recent Advances in Nitrogen-Rich Energetic Materials: Synthesis, Structure, and Properties

A special issue of Materials (ISSN 1996-1944). This special issue belongs to the section "Energy Materials".

Deadline for manuscript submissions: 20 November 2025 | Viewed by 1732

Special Issue Editor

Prof. Dr. Yuangang Xu

E-Mail Website
Guest Editor
School of Chemistry and Chemical Engineering, Nanjing University of Science and Technology, Xiaolingwei 200, Nanjing 210094, China
Interests: energetic materials; explosives; polynitrogen; synthesis; detonation properties

Special Issue Information

Dear Colleagues,

Energetic materials include explosives, propellants, and pyrotechnics that are used for a variety of military purposes and civilian applications. Traditional energetic materials include 2,4,6-trinitrotoluene (TNT), 1,3,5-trinitro-1,3,5-triazine (RDX), 1,3,5,7-tetranitro-1,3,5,7-tetrazocine (HMX), 2,4,6,8,10,12-hexanitro-2,4,6,8,10,12-hexaazaisowurtzitane (CL-20), etc. Unfortunately, the energy and stability of energetic materials are contradictory to each other. The issue of how to achieve the balance between the two is of important scientific significance and strategic value. Therefore, the main goal of this subject is to create high-energy and relatively insensitive nitrogen-rich energetic materials and to understand the design of these materials, the synthesis reaction process, and the relationship between structure and performance.

Prof. Dr. Yuangang Xu
Guest Editor

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Keywords

  • nitrogen-rich energetic materials
  • detonation properties
  • stability
  • synthesis
  • structure–performance relationship

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Published Papers (3 papers)

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Research

9 pages, 2210 KB  
Article
Salt Formation of the Alliance of Triazole and Oxadiazole Towards Balanced Energy and Safety
by Yang Liu, Meiqi Wang, Jiawei Men, Bibo Li, Shangbiao Feng, Shuangfei Zhu, Guangrui Liu, Ruijun Gou, Shuhai Zhang, Ming Lu and Li Yang
Materials 2025, 18(15), 3435; https://doi.org/10.3390/ma18153435 - 22 Jul 2025
Viewed by 301
Abstract
Balancing the energy and stability of energetic materials is a challenging task in their development. Salt formation is a promising strategy for seeking high-energy, low-sensitivity materials. In this study, the modification of anions facilitates the enhancement of density and oxygen balance in amino-functionalized [...] Read more.
Balancing the energy and stability of energetic materials is a challenging task in their development. Salt formation is a promising strategy for seeking high-energy, low-sensitivity materials. In this study, the modification of anions facilitates the enhancement of density and oxygen balance in amino-functionalized N-heterocycle systems. The results of single-crystal X-ray diffraction and theoretical analysis suggest that DATOP possesses intense hydrogen bonding networks in its crystal structure. The ideal structure of DATOP (ρ = 1.954 g·cm−3, D = 8624 m·s−1, P = 34.4 GPa) gives rise to higher detonation properties compared to DATOC (ρ = 1.717 g·cm−3, D = 5984 m·s−1, P = 12.4 GPa). In particular, the thermal stability of DATOP (Td = 273 °C) is superior to DATOC (Td = 154 °C). DATOP also maintains comparable mechanical sensitivities to DATOC. These fascinating results reveal that the strategy of salt formation shows excellent potential for balancing energy and stability in energetic materials. Full article
(This article belongs to the Special Issue Recent Advances in Nitrogen-Rich Energetic Materials: Synthesis, Structure, and Properties)
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9 pages, 3599 KB  
Communication
The Synthesis, Structure, and Properties of a Polynitro Energetic Complex with a Hexaamminecobalt(III) Ion as a Stabilizing Core
by Zhiwei He, Feng Yang, Xianfeng Wang and Ming Lu
Materials 2025, 18(13), 3004; https://doi.org/10.3390/ma18133004 - 25 Jun 2025
Viewed by 389
Abstract
Energetic complexes with multi-component architectures represent a frontier in contemporary energetic materials research. In this work, we report a novel high-energy complex—bis(5-nitro-3-(dinitromethyl)-1,2,4-triazole)-hexaamminecobalt(III) [[Co(NH3)6](HNTD)(NTD)·H2O]—that is synthesized using the oxygen-rich energetic compound 5-nitro-3-(trinitromethyl)-1,2,4-triazole (HNTF) as a precursor. Compared with [...] Read more.
Energetic complexes with multi-component architectures represent a frontier in contemporary energetic materials research. In this work, we report a novel high-energy complex—bis(5-nitro-3-(dinitromethyl)-1,2,4-triazole)-hexaamminecobalt(III) [[Co(NH3)6](HNTD)(NTD)·H2O]—that is synthesized using the oxygen-rich energetic compound 5-nitro-3-(trinitromethyl)-1,2,4-triazole (HNTF) as a precursor. Compared with metallic H2NTD salts, [Co(NH3)6](HNTD)(NTD)·H2O exhibits a higher density (ρ = 1.886 g cm−3) and unrivaled energy properties (Vd = 8030 m s−1 and P = 29.2 GPa). The formation of a dense hydrogen-bonding network—mediated by ammonium groups in the [Co(NH3)6]3+ core and nitro groups of HNTD− and NTD2−—significantly dampens the mechanical sensitivity (IS = 10 J and FS = 140 N). These combined attributes establish [Co(NH3)6](HNTD)(NTD)·H2O as a promising high-energy-density material (HEDM), offering critical insights for the design of next-generation energetic complexes. Full article
(This article belongs to the Special Issue Recent Advances in Nitrogen-Rich Energetic Materials: Synthesis, Structure, and Properties)
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15 pages, 5684 KB  
Article
Effect of Different Substituents on the Properties of 4-R-1,5-Diaminotetrazolium Pentazolate Salts
by Xiaofeng Yuan, Ze Xu, Ming Lu and Yuangang Xu
Materials 2025, 18(5), 1077; https://doi.org/10.3390/ma18051077 - 27 Feb 2025
Viewed by 638
Abstract
To explore the impact of different substituents (R) in 4-R-1,5-diaminotetrazolium cations on the performance of their pentazolate salts, five types of pentazolate salts with different groups were designed: -H, -OH, -NH2, -NH-NH2, and -N3. Quantum chemical methods [...] Read more.
To explore the impact of different substituents (R) in 4-R-1,5-diaminotetrazolium cations on the performance of their pentazolate salts, five types of pentazolate salts with different groups were designed: -H, -OH, -NH2, -NH-NH2, and -N3. Quantum chemical methods were employed to deeply study the interionic interactions and detonation properties of these 4-R-1,5-diaminotetrazolium pentazolate salts. Among these five ionic compounds, the 1,5-diamino-4-hydroxytetrazolium pentazolate ([DAT-OH+] [N5−]) system exhibited the lowest interaction energy and highest stability, while the 1,5-diamino-1H-1,2,3,4-tetrazolium pentazolate ([DAT-H+] [N5−]) system was the least stable. Symmetry-adapted perturbation theory (SAPT) analysis indicated that electrostatic and dispersion effects predominantly contributed to these interactions. An independent gradient model based on Hirshfeld partition (IGMH) analysis further highlighted the interionic interaction regions, revealing extensive van der Waals interactions and the formation of N-H…N type hydrogen bonds. The hydrogen bond formed by the cyclo-N5− and hydroxyl groups was relatively strong, while other hydrogen bonds were weaker. Benefiting from a higher enthalpy of formation, the 1,5-diamino-4-azidotetrazolium pentazolate ([DAT-N3+] [N5−]) compound exhibited the highest detonation performance (D: 9295.77 m·s−1; P: 32.13 GPa), while [DAT-OH+] [N5−] also demonstrated good performance and stability (D: 8924.96 m·s−1; P: 28.85 GPa). Full article
(This article belongs to the Special Issue Recent Advances in Nitrogen-Rich Energetic Materials: Synthesis, Structure, and Properties)
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