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Thermal decomposition mechanism of DNTF-based high-energy systems assisted with experimental and DFT studies

delete2026-07-06
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PRE
AI
J
Jingjing Zhou
X
Xihui Yang
J
Jing An
Y
Yanlong Zhu
D
Dong Hua
L
Li Ding *
DOI：10.1016/j.tca.2026.180393delete
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Abstract

Abstract

En 中文
• Pressurized experiments and DFT calculation to address the volatility of DNTF. • Intermolecular π-π and O−H•••π interactions showed significance in bond cleavage. • Heteroatom-centered radicals and catalytic molecules advanced decomposition.

Journal

Thermochimica Acta cover
Thermochimica Acta
IF:
3.5
Papers:
9.5K
Citations:
1.9W

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