[HTML][HTML] A review of ultra-high temperature heat-resistant energetic materials

R Zhang, Y Xu, F Yang, P Wang, Q Lin, H Huang… - Defence …, 2024 - Elsevier
Heat-resistant energetic materials refer to a type of energetic materials that possess a high
melting point, high stability and operational safety. By studying the structures of these …

Environmentally friendly high-energy MOFs: crystal structures, thermostability, insensitivity and remarkable detonation performances

X Liu, W Gao, P Sun, Z Su, S Chen, Q Wei, G Xie… - Green …, 2015 - pubs.rsc.org
An alternative method to prepare new-generation green high-energy-density materials with
excellent performances has been developed on the basis of a coordination chemistry …

Nitroaminofurazans with azo and azoxy linkages: a comparative study of structural, electronic, physicochemical, and energetic properties

J Zhang, JM Shreeve - The Journal of Physical Chemistry C, 2015 - ACS Publications
The structural, electronic, and physicochemical properties of 4, 4′-bis (nitramino)
azofurazan and 4, 4′-bis (nitramino) azoxyfurazan as high-energy density materials were …

Crystal engineering of energetic materials: co‐crystals of ethylenedinitramine (EDNA) with modified performance and improved chemical stability

CB Aakeröy, TK Wijethunga… - Chemistry–A European …, 2015 - Wiley Online Library
In the area of energetic materials, co‐crystallization is emerging as a new technology for
modifying or enhancing the properties of existing energetic substances. Ethylenedinitramine …

Synthesis, co-crystal structure, and DFT calculations of a multicomponent co-crystal constructed from 1H-benzotriazole and tetrafluoroterephthalic acid

F Li, Z Zheng, S Xia, L Yu - Journal of Molecular Structure, 2020 - Elsevier
A co-crystal of 1H-benzotriazole (HB) and tetrafluoroterephthalic acid (TETA) has been
successfully prepared based on NH⋯ O, OH⋯ N, and CH⋯ F hydrogen bonding interactions …

Rational design and synthesis of magnetic covalent organic frameworks for controlling the selectivity and enhancing the extraction efficiency of polycyclic aromatic …

J Yu, S Di, T Ning, H Yang, GT Zhu, P Chen, H Yu… - Microchimica Acta, 2020 - Springer
A series of three-dimensional magnetic covalent organic frameworks were designed and
synthesized via monomer selection, coating thickness optimization, and composite strategy …

Initial decomposition of DATB induced by an external electric field

D Hong, W Zeng, ZT Liu, FS Liu… - The Journal of Physical …, 2023 - ACS Publications
1, 3-Diamino-2, 4, 6-trinitrobenzene (DATB), a nitro aromatic explosive with excellent
properties, can be detonated by an electric field. Using first-principles calculation, we have …

Effects of noncovalent interactions on the impact sensitivity of HNS-based cocrystals: a DFT study

X Zhao, S Huang, Y Liu, J Li, W Zhu - Crystal Growth & Design, 2018 - ACS Publications
We report the crystal packing, electronic structure, Hirshfeld surface, Bader's atoms in
molecules (AIM), and independent gradient model (IGM) for 2, 2′, 4, 4′, 6, 6 …

Theoretical study on the correlation between the structure, excess energy, surface energy, electronic structure, nitro charge, and friction sensitivity of N, N …

HY Li, YD Gan, FS Liu, ZT Liu, ZX Bai… - Physical Chemistry …, 2023 - pubs.rsc.org
The sensitivity of energetic materials along different crystal directions is not the same and is
anisotropic. In order to explore the difference in friction sensitivity of different surfaces, we …

Study on the regulation of ε-CL-20 by an external electric field

J Chen, J Xu, T Xiao, P Ma, C Ma - Journal of Molecular Modeling, 2024 - Springer
Context To explore the influence of the external electric field (EEF) on ε-CL-20. The
molecular structure, frontier molecular orbitals (FMOs), global reactivity parameters (GRP) …