A promising high-energy-density material Zhang, Wenquan; Zhang, Jiaheng; Deng, Mucong ...
Nature communications,
08/2017, Letnik:
8, Številka:
1
Journal Article
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High-energy density materials represent a significant class of advanced materials and have been the focus of energetic materials community. The main challenge in this field is to design and ...synthesize energetic compounds with a highest possible density and a maximum possible chemical stability. Here we show an energetic compound, 2,2'-bi(1,3,4-oxadiazole)-5,5'-dinitramide, is synthesized through a two-step reaction from commercially available reagents. It exhibits a surprisingly high density (1.99 g cm
at 298 K), poor solubility in water and most organic solvents, decent thermal stability, a positive heat of formation and excellent detonation properties. The solid-state structural features of the synthesized compound are also investigated via X-ray diffraction and several theoretical techniques. The energetic and sensitivity properties of the explosive compound are similar to those of 2, 4, 6, 8, 10, 12-(hexanitrohexaaza)cyclododecane (CL-20), and the developed compound shows a great promise for potential applications as a high-energy density material.High energy density materials are of interest, but density is the limiting factor for many organic compounds. Here the authors show the formation of a high density energetic compound from a two-step reaction between commercially available compounds that exhibit good heat thermal stability and detonation properties.
The creation of high-performance energetic materials with good mechanical sensitivities has been a great challenge over the past decades, since such materials have huge amounts of energy and are thus ...essentially unstable. Here, we report on a promising fused-ring energetic material with an unusual two-dimensional (2D) structure, 4-nitro-7-azido-pyrazol-3,4-d-1,2,3-triazine-2-oxide (NAPTO), whose unique 2D structure has been confirmed by single-crystal X-ray diffraction. Experimental studies show that this novel energetic compound has remarkably high energy (detonation velocity D = 9.12 km·s−1; detonation pressure P = 35.1 GPa), excellent sensitivities toward external stimuli (impact sensitivity IS = 18 J; friction sensitivity FS = 325 N; electrostatic discharge sensitivity EDS = 0.32 J) and a high thermal decomposition temperature (203.2 °C), thus possessing the dual advantages of high energy and low mechanical sensitivities. To our knowledge, NAPTO is the first fused-ring energetic material with 2D layered crystal stacking. The stabilization mechanism toward external stimuli were investigated using molecular simulations, and the theoretical calculation results demonstrate that the ultraflat 2D layered structure can buffer external mechanical stimuli more effectively than other structures by converting the mechanical energy acting on the material into layer sliding and compression. Our study reveals the great promise of the fused-ring 2D layered structure for creating advanced energetic materials.
Energetic metal–organic frameworks (E-MOFs) have witnessed increasing development over the past several years. However, as a highly energetic cation, NH3OH+ has never been explored to construct ...transition-metal-based E-MOFs. Herein, we report the first examples of NH3OH+-containing E-MOFs with bis(tetrazole)methane (H2btm) as a ligand and copper and manganese as central metal ions, (NH3OH)2(Cu(btm)2) n and (NH3OH)2(Mn(btm)2) n . Crystal structure determinations reveal that both E-MOFs show two-dimensional layered structures. Experimental results suggest that they have high thermal decomposition temperatures (>200 °C). Among them, Cu-based E-MOFs possesses outstanding thermal stability (T dec = 230.3 °C), which surpasses those of known NH3OH+-containing compounds. They also have high energy density; in particular, the Cu-based E-MOF affords a high heat of combustion (11447 kJ kg–1) and high heat of detonation (713.8 kJ mol–1) beyond the most powerful organic explosives in use today. Additionally, the two E-MOFs show completely different sensitivity properties: the Mn-based E-MOF is an insensitive high-energy-density material (IS > 40 J; FS > 360 N; EDS > 20 J), while the Cu-based E-MOF can be classified as a sensitive energetic material (IS = 13 J; FS = 216 N; EDS = 10.25 J), demonstrating their diverse applications in different fields. Our research proposes a unique class of high-energy-density materials.
•Local structural modification was utilized to develop new energetic materials.•Two compounds (PTO and MPTO) were synthesized with the yields of 98 % and 79 %.•PTO and MPTO are promising ...heat-resistant energetic materials.
With the increasing demand for deep mineral resources and rapid development of space exploration, the search for advanced heat-resistant energetic compounds have attracted increasing attention in the field of energetic materials. In this study, we designed and prepared two new fused aromatic nitrogen heterocyclic compounds of 4-amino-5-nitro-7H-pyrazolo3,4-d1,2,3triazine-2-oxide (PTO) and 4-amino-7-methyl-5-nitro-7H-pyrazolo3,4-d1,2,3triazine-2-oxide (MPTO) by a local structural modification on a highly sensitive initiating explosive (ICM-103). This minor structural adjustment endows PTO and MPTO with totally different properties in contrast to the starting material (ICM-103). The decomposition temperatures of PTO and MPTO reached 365.0 °C and 347.7 °C, respectively, around 200 °C higher than that (160.3 °C) of ICM-103. Moreover, PTO and MPTO also exhibit good detonation velocity (8528 m s−1 and 8102 m s−1, respectively) and low impact sensitivity (20 J and 18 J, respectively). The comprehensive performances of PTO and MPTO are superior to the widely used heat-resistant energetic materials HNS (Td: 318 °C, Dv: 7612 m s−1, IS: 5 J) and PYX (Td: 360 °C, Dv: 7757 m s−1, IS: 10 J), demonstrating their important applied potentiality as novel heat-resistant energetic materials.
Energetic metal-organic frameworks (E-MOFs) have witnessed increasing development over the past several years. However, as a highly energetic cation, NH
OH
has never been explored to construct ...transition-metal-based E-MOFs. Herein, we report the first examples of NH
OH
-containing E-MOFs with bis(tetrazole)methane (H
btm) as a ligand and copper and manganese as central metal ions, (NH
OH)
(Cu(btm)
)
and (NH
OH)
(Mn(btm)
)
. Crystal structure determinations reveal that both E-MOFs show two-dimensional layered structures. Experimental results suggest that they have high thermal decomposition temperatures (>200 °C). Among them, Cu-based E-MOFs possesses outstanding thermal stability (
= 230.3 °C), which surpasses those of known NH
OH
-containing compounds. They also have high energy density; in particular, the Cu-based E-MOF affords a high heat of combustion (11447 kJ kg
) and high heat of detonation (713.8 kJ mol
) beyond the most powerful organic explosives in use today. Additionally, the two E-MOFs show completely different sensitivity properties: the Mn-based E-MOF is an insensitive high-energy-density material (IS > 40 J; FS > 360 N; EDS > 20 J), while the Cu-based E-MOF can be classified as a sensitive energetic material (IS = 13 J; FS = 216 N; EDS = 10.25 J), demonstrating their diverse applications in different fields. Our research proposes a unique class of high-energy-density materials.
The development of ionic‐liquid‐derived functional materials would be vital for stimulation of the interdisciplinary research in the fields of ionic liquid chemistry and material science. Here, a ...series of novel poly(ionic liquid)s with explosive capability were designed and prepared by introducing the energetic nitrato group and nitro‐rich anions, such as nitrate, dinitramide, and nitroform into the polymeric chains. The as‐synthesized explosive poly(ionic liquid)s (E‐PILs) were fully characterized, and their physicochemical and detonation properties were investigated. All E‐PILs show higher detonation performances than state‐of‐the‐art energetic polymers including glycidyl azide polymer (GAP) and poly(glycidyl nitrate) poly(GLYN). Some E‐PILs exhibit higher calculated detonation velocities and pressures than 2,4,6‐trinitrotoluene (TNT). These E‐PILs are promising candidates for applications as new high‐performance energetic polymers.
Going off with a bang! A series of novel explosive poly(ionic liquid)s (E‐PILs) are designed and prepared by introducing an energetic nitrato group and nitro‐rich anions into polymeric chains. All E‐PILs show higher detonation performances than state‐of‐the‐art energetic polymers. The E‐PILs are promising candidates for applications as binders and/or plasticizers for explosive formulations.
Cyclopentazolate anions (
cyclo
-N
5
−
) have been receiving ever-increasing attention as component of energetic explosives since recent fulfilment of the first stable sample in solid phase and ...ambient conditions. Herein, we present a new strategy to utilize deflagration reactions of cobalt pentazolate in combination with explosive poly(ionic liquid) (EPIL) for the preparation of Co@N-doped carbon materials with homogeneously distributed cobalt nanoparticle encapsulated by the layers of N-doped carbon sheets. The resultant 5%Co (N
5
)
2
-EPIL-900 exhibits high electrocatalytic activities, excellent stability and tolerance to CH
3
OH towards oxygen reduction reaction (ORR). Moreover, the present approach provides a novel routine for preparation of functional materials from energetic and newly-emerging
cyclo
-N
5
−
-derived compounds.
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