materials-logo

Journal Browser

Journal Browser

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 May 2025 | Viewed by 581

Special Issue Editor


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

Manuscript Submission Information

Manuscripts should be submitted online at www.mdpi.com by registering and logging in to this website. Once you are registered, click here to go to the submission form. Manuscripts can be submitted until the deadline. All submissions that pass pre-check are peer-reviewed. Accepted papers will be published continuously in the journal (as soon as accepted) and will be listed together on the special issue website. Research articles, review articles as well as short communications are invited. For planned papers, a title and short abstract (about 100 words) can be sent to the Editorial Office for announcement on this website.

Submitted manuscripts should not have been published previously, nor be under consideration for publication elsewhere (except conference proceedings papers). All manuscripts are thoroughly refereed through a single-blind peer-review process. A guide for authors and other relevant information for submission of manuscripts is available on the Instructions for Authors page. Materials is an international peer-reviewed open access semimonthly journal published by MDPI.

Please visit the Instructions for Authors page before submitting a manuscript. The Article Processing Charge (APC) for publication in this open access journal is 2600 CHF (Swiss Francs). Submitted papers should be well formatted and use good English. Authors may use MDPI's English editing service prior to publication or during author revisions.

Keywords

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

Benefits of Publishing in a Special Issue

  • Ease of navigation: Grouping papers by topic helps scholars navigate broad scope journals more efficiently.
  • Greater discoverability: Special Issues support the reach and impact of scientific research. Articles in Special Issues are more discoverable and cited more frequently.
  • Expansion of research network: Special Issues facilitate connections among authors, fostering scientific collaborations.
  • External promotion: Articles in Special Issues are often promoted through the journal's social media, increasing their visibility.
  • e-Book format: Special Issues with more than 10 articles can be published as dedicated e-books, ensuring wide and rapid dissemination.

Further information on MDPI's Special Issue policies can be found here.

Published Papers (1 paper)

Order results
Result details
Select all
Export citation of selected articles as:

Research

15 pages, 5684 KiB  
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 350
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
Show Figures

Figure 1

Back to TopTop