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Authors
Zhang, Qian https://orcid.org/0009-0002-4542-0407
Guo, You-Xiang
Long, Tao
Xu, Lan-Ying
Huang, Yan https://orcid.org/0009-0003-4727-4754
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Funding
Funding for this research was provided by:
The Doctoral Research Foundation of Huanggang Normal University (No. 2042024347, No. 2042024348)
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Article History
Received: 27 May 2025
Accepted: 21 July 2025
First Online: 1 August 2025
Declarations
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: The authors declare no competing interests.
: The DFT-based computational design of bis-six-membered nitrogen-rich fused ring energetic molecules reveals ultrahigh energy density (up to 3.3 g/cm3) and exceptional thermal stability (decomposition temperature 765.3 °C), providing a theoretical framework for next-generation high-performance energetic materials.
