journal article·2022-05-25

Programming a Metal–Organic Framework toward Excellent Hypergolicity

Yang Zhang, Yan-Yan Xing, Chao Wang, Rui Pang, Wei-Wei Ren, Shan Wang, Zhi-Min Li, Li Yang, Wen-Chao Tong, Qian-You Wang, Shuang-Quan Zang

ACS Applied Materials & Interfaces· Volume 14· Issue 20
Publisher page

Abstract

Exploring novel hypergolic fuels for modern space propulsion is highly desired. However, the analysis and understanding of the structure and hypergolic performance at the molecular level are still insufficient. To understand the factors that dictate hypergolicity, we conducted a comparative study on a series of metal-organic frameworks (MOFs) characterized by the same topology but with varied ligand structures. The ignition delay (ID) time trend was found to be imidazole < triazole < tetrazole, and the rapid ID time was 8 ms. By combining experimental studies and density functional theory (DFT) calculations, we found that propargyl and cyanoborohydride groups that functioned as dual hypergolic triggers contributed to the hypergolicity, and a distinct electronic structure was detrimental to ID time. The structure-performance relationships presented herein can potentially provide some fundamental insights into the field of developing high-performance hypergolic fuels.
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Research context

OpenAlex topics: Energetic Materials and Combustion · Supramolecular Chemistry and Complexes · Boron and Carbon Nanomaterials Research

SciVX discovery tags are terminology-based. OpenAlex topics are source-provided classifications.

Affiliations

Henan Key Laboratory of Crystalline Molecular Functional Materials, Green Catalysis Center and College of Chemistry, Zhengzhou University, Zhengzhou 450001, China

International Laboratory for Quantum Functional Materials of Henan, School of Physics and Microelectronics, Zhengzhou University, Zhengzhou 450001, China

State Key Laboratory of Explosion Science and Technology, Explosion Protection and Emergency Disposal Technology Engineering Research Center of the Ministry of Education, Beijing Institute of Technology, Beijing 100081, China

Funding

National Natural Science Foundation of China · the opening project of State Key Laboratory of Explosion Science and Technology (Beijing Institute of Technology) · the Open Fund of Defense Science and Technology Laboratory · Henan Science Fund for Excellent Young Scholars

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