A New Design Strategy of Series of Tetrazole-Based High-Energy-Density Energy Storage Molecular Systems

Xiaowei Wu and Qiyao Yu ()
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Xiaowei Wu: School of Chemistry and Chemical Engineering, Nanjing University of Science and Technology, Nanjing 210094, China
Qiyao Yu: State Key Laboratory of Explosion Science and Safety Protection, Beijing Institute of Technology, Beijing 100081, China

Energies, 2025, vol. 18, issue 21, 1-14

Abstract: Innovative energy storage technologies in the energetic materials field represent a critical frontier in energy research. Consequently, we developed a performance regulation strategy based on tetrazolyl high-energy-density energy storage molecular systems and theoretically assessed their energetic properties and safety profiles. The findings reveal that substituent characteristics profoundly affect the performances of these energy storage molecular systems. The molecule systems ((1-amino-1H-tetrazol-5-yl)azanediyl)bis(1H-tetrazole-5,1-diyl) dinitrate, ((1-azido-1H-tetrazol-5-yl)azanediyl)bis(1H-tetrazole-5,1-diyl) dinitrate, ((1-nitro-1H-tetrazol-5-yl)azanediyl)bis(1H-tetrazole-5,1-diyl) dinitrate, and especially ((1-azido-1H-tetrazol-5-yl)azanediyl)bis(1H-tetrazole-5,1-diyl) dinitrate, exhibit exceptional performances, including high density, high heat of formation, high detonation velocity and pressure, zero oxygen balance, and low impact sensitivity, qualifying them as high-energy-density and low-sensitivity candidates. This work offers novel pathways for advancing energy storage technologies in energetic materials field.

Keywords: energy storage molecule; energy characteristics; safety performances (search for similar items in EconPapers)
JEL-codes: Q Q0 Q4 Q40 Q41 Q42 Q43 Q47 Q48 Q49 (search for similar items in EconPapers)
Date: 2025
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