G-C₃N₄ possesses a band gap of approximately 2.7 eV. The conduction-band electrons (e_cb⁻) and valence band holes (h⁺) could be generated when g-C₃N₄ was excited, which accelerate the thermal decomposition of ammonium perchlorate (AP).

Using first-principles calculations based on density functional theory, the elastic constants and some of the related physical quantities, such as the bulk, shear, and Young’s moduli, Poisson’s ratio, anisotropic factor, acoustic velocity, minimum thermal conductivity, and Debye temperature, are reported in this paper for the hexagonal intermetallic compound Ti ${}_3$ Al. The obtained results are well consistent with the available experimental and theoretical data. The effect of pressure on all studied parameters was investigated. By the mechanical stability criteria under isotropic pressure, it is predicted that the compound is mechanically unstable at pressures above 71.4 GPa. Its ductility, anisotropy, and Debye temperature are enhanced with pressure.

The nitro-aromatic explosives of NB, PNP and 2,4-DNP (40 mg L⁻¹) could be completely degraded by MoSe₂ 3D microspheres for 3.5 h, 1.5 h and 2.5 h, under visible light irradiation.

A novel 3D energetic metal–organic framework (MOF) of exceptionally high energy content, [Pb(BTO)(H₂O)]_n, was synthesized and structurally characterized by single crystal X-ray diffraction.

Two novel 2D energetic metal–organic frameworks (MOFs), namely, [Pb(BTF)(H₂O)₂]_n (1) and [Ba(BTF)(H₂O)₄]_n (2), that possess the combined advantages of tetrazole and furazan rings were successfully synthesized. Their crystal structures were determined by single-crystal X-ray diffraction and fully characterized by elemental analysis and FT-IR spectroscopy. Their thermal stability and sensitivity were also investigated. The MOFs have good thermal stability (T_dec > 250 °C) and are insensitive to impact (IS > 25 J) and friction (FS > 360 N), and also have good oxygen balance (Ω > −20%). Crystal structure analyses reveal that the two compounds have densities up to 3.382 g cm⁻³ and 2.336 g cm⁻³, respectively, and excellent physicochemical properties. Tetrazole and furazan rings as ligands can commendably increase the densities and oxygen balance of energetic MOFs, thereby enhancing their detonation performance. We anticipate that this work will open a new direction for the development of energetic MOFs. Moreover, (1) exhibits outstanding catalytic performance for ammonium perchlorate (AP). When the supramolecular complex was added in 10 wt% amount, the high-temperature decomposition peak of AP advanced by 95 °C and the reaction rates enhanced by lowering the activation energy.