TY - JOUR
T1 - Preparation, characterization, and ignition properties of novel perovskite energetic materials
T2 - The PANs-2 series
AU - Shang, Yiping
AU - Wu, Junying
AU - Li, Junjian
AU - Liu, Ruizheng
AU - Chen, Lang
N1 - Publisher Copyright:
© 2025
PY - 2025/12
Y1 - 2025/12
N2 - Molecular perovskite energetic materials (PEMs), as a novel category of molecular assembly-based energetic materials, exhibit promising potential in the energetic materials field. In this work, three new PEMs with the general formula A[K(NO3)3] (A = H2PIP2+, MeH2PIP2+, 1,4-H2diazepane2+) named PAN-2, PAN-M2 and PAN-H2 (collectively called PANs-2) were synthesized via an environmentally friendly method. These compounds were prepared using a modular assembly strategy, where K⁺ cations (B-site) and oxidizing NO₃⁻ anions (X-site) formed the bridging framework, while the A-site was filled with different organic fuel cations. The PANs-2 compounds, composed of carbon (C), hydrogen (H), nitrogen (N), oxygen (O), and potassium (K), are free of highly polluting sulfur (S), chlorine (Cl) and toxic heavy metals, thereby rendering them relatively environmentally friendly energetic materials. The detonation velocity (D) of energetic materials shows wave speed and energy release rate; detonation pressure (P) indicates instant destructive force; heat of detonation (Q) reflects energy release per unit mass; specific impulse (Isp) measures propellant efficiency. Together, they characterize energetic performance and work capacity of energetic materials. The calculated D of PAN-2, PAN-M2 and PAN-H2 are 8.14, 7.20 and 7.50 km·s⁻¹, respectively, all surpassing the detonation velocity of 6.92 km·s⁻¹ for the traditional energetic material trinitrotoluene (TNT). The calculated Isp values of PAN-2, PAN-M2, and PAN-H2 are 240.32, 182.88, and 180.17 s, respectively, all surpassing the Isp of 157 s for the conventional propellant ammonium perchlorate (AP), indicating their potential in the field of propellants. The modulation mechanism of the A-site cation on PEMs properties was mainly attributed to the effects of enthalpy of formation and density. All three PANs-2 compounds exhibit low microwave ignition thresholds and rapid reaction characteristics under microwave irradiation, with microwave initiation time below 4 ms. This work expands the application prospects of molecular perovskites in ignition compositions and offers a systematic theoretical basis and experimental paradigm for the future molecular design and performance optimization of PEMs.
AB - Molecular perovskite energetic materials (PEMs), as a novel category of molecular assembly-based energetic materials, exhibit promising potential in the energetic materials field. In this work, three new PEMs with the general formula A[K(NO3)3] (A = H2PIP2+, MeH2PIP2+, 1,4-H2diazepane2+) named PAN-2, PAN-M2 and PAN-H2 (collectively called PANs-2) were synthesized via an environmentally friendly method. These compounds were prepared using a modular assembly strategy, where K⁺ cations (B-site) and oxidizing NO₃⁻ anions (X-site) formed the bridging framework, while the A-site was filled with different organic fuel cations. The PANs-2 compounds, composed of carbon (C), hydrogen (H), nitrogen (N), oxygen (O), and potassium (K), are free of highly polluting sulfur (S), chlorine (Cl) and toxic heavy metals, thereby rendering them relatively environmentally friendly energetic materials. The detonation velocity (D) of energetic materials shows wave speed and energy release rate; detonation pressure (P) indicates instant destructive force; heat of detonation (Q) reflects energy release per unit mass; specific impulse (Isp) measures propellant efficiency. Together, they characterize energetic performance and work capacity of energetic materials. The calculated D of PAN-2, PAN-M2 and PAN-H2 are 8.14, 7.20 and 7.50 km·s⁻¹, respectively, all surpassing the detonation velocity of 6.92 km·s⁻¹ for the traditional energetic material trinitrotoluene (TNT). The calculated Isp values of PAN-2, PAN-M2, and PAN-H2 are 240.32, 182.88, and 180.17 s, respectively, all surpassing the Isp of 157 s for the conventional propellant ammonium perchlorate (AP), indicating their potential in the field of propellants. The modulation mechanism of the A-site cation on PEMs properties was mainly attributed to the effects of enthalpy of formation and density. All three PANs-2 compounds exhibit low microwave ignition thresholds and rapid reaction characteristics under microwave irradiation, with microwave initiation time below 4 ms. This work expands the application prospects of molecular perovskites in ignition compositions and offers a systematic theoretical basis and experimental paradigm for the future molecular design and performance optimization of PEMs.
KW - Microwave ignition
KW - Molecular building blocks
KW - Molecular perovskite energetic materials (PEMs)
UR - https://www.scopus.com/pages/publications/105017124472
U2 - 10.1016/j.rineng.2025.107117
DO - 10.1016/j.rineng.2025.107117
M3 - Article
AN - SCOPUS:105017124472
SN - 2590-1230
VL - 28
JO - Results in Engineering
JF - Results in Engineering
M1 - 107117
ER -