Structural and decomposition analysis of TKX-50 with vacancy defects: insights from DFT and AIMD simulations.

Vacancy defects are commonly present in crystals of energetic materials, and significantly influence the structural stability and decomposition mechanisms. However, there is a lack of profound understanding regarding the introduction of vacancy defects in energetic ionic salt, dihydroxylammonium 5,5'-bitetrazole-1,1'-dioxide (TKX-50). Due to the 1 : 2 ratio of anions to cations, TKX-50 possesses a more complex distribution of vacancy defects compared to traditional energetic materials. Based on the density functional theory method, the relatively favorable thermodynamic formation of vacancy defect distributions was revealed. The noncovalent interactions within the system, as well as the planarity of the anions, were investigated to understand the structural stability of TKX-50. Through ab initio molecular dynamics simulations, we discovered that vacancy defects can expedite the proton transfer during the initial decomposition stage of TKX-50 and affect the pathways of proton transfer. In the subsequent decomposition process, introduction of vacancy defects in the TKX-50 crystal leads to an earlier onset of ring-opening reactions and accelerates the appearance of decomposition products. The findings have the potential to provide insights into modeling vacancy defects in energetic ionic salts and reveal the impact of such defects on the structural stability and decomposition mechanisms of these materials.

Thermal Decomposition Mechanism of Ammonium Nitrate on the Main Crystal Surface of Ferric Oxide: Experimental and Theoretical Studies.

Understanding the decomposition process of ammonium nitrate (AN) on catalyst surfaces is crucial for the development of practical and efficient catalysts in AN-based propellants. In this study, two types of nano-Fe2O3 catalysts were synthesized: spherical particles with high-exposure (104) facets and flaky particles with high-exposure (110) facets. Through thermal analysis and particle size analysis, it was found that the nanosheet-Fe2O3 catalyst achieved more complete AN decomposition despite having a larger average particle size compared to nanosphere-Fe2O3. Subsequently, the effects of AN pyrolysis on the (110) and (104) facets were investigated by theoretical simulations. Through studying the interaction between AN and crystal facets, it was determined that the electron transfer efficiency on the (110) facet is stronger compared to that on the (104) facet. Additionally, the free-energy step diagrams for the reaction of the AN molecule on the two facets were calculated with the DFT + U method. Comparative analysis led us to conclude that the (110) facet of α-Fe2O3 is more favorable for AN pyrolysis compared to the (104) facet. Our study seeks to deepen the understanding of the mechanism underlying AN pyrolysis and present new ideas for the development of effective catalysts in AN pyrolysis.

2D Atomic Layers for CO2 Photoreduction.

Artificial photosynthesis can convert carbon dioxide into high value-added chemicals. However, due to the poor charge separation efficiency and CO2 activation ability, the conversion efficiency of photocatalytic CO2 reduction is greatly restricted. Ultrathin 2D photocatalyst emerges as an alternative to realize the higher CO2 reduction performance. In this review, the basic principle of CO2 photoreduction is introduced, and the types, advantages, and advances of 2D photocatalysts are reviewed in detail including metal oxides, metal chalcogenides, bismuth-based materials, MXene, metal-organic framework, and metal-free materials. Subsequently, the tactics for improving the performance of 2D photocatalysts are introduced in detail via the surface atomic configuration and electronic state tuning such as component tuning, crystal facet control, defect engineering, element doping, cocatalyst modification, polarization, and strain engineering. Finally, the concluding remarks and future development of 2D photocatalysts in CO2 reduction are prospected.

Correlation of Efficient Dispersion and Catalytic Performance of Nanocombustion Catalysts in Energetic Materials: A Case Study of the Nanocopper Oxide Catalyst with Superfine Ammonium Perchlorate.

Obviously, the dispersion of nanocatalytic materials has significant influence on their catalytic performance. In this study, an evaluation method for the dispersion of nanomaterials was established according to the different solid UV absorptions of different substances by taking the dispersion of nanocopper oxide (nano-CuO) in superfine ammonium perchlorate (AP) as an example. The nano-CuO/superfine AP composites with different nano-CuO dispersions can be obtained by changing the process parameters, such as varying the grinding method, the grinding strength, and the grinding time. Three replicate experiments were carried out for different composites to derive the average values of absorbance at 212 nm, and the dispersion of nano-CuO in superfine AP was calculated using the difference equation, as the solid UV curves at 210-214 nm were almost identical for each sample, especially at 212 nm. The properties of different samples were tested by X-ray diffraction (XRD), Fourier-transform infrared spectroscopy (IR), scanning electron microscopy (SEM), energy-dispersive X-ray spectroscopy (EDS), differential scanning calorimetry (DSC), and thermogravimetry-mass spectrometry (TG-MS). The results show that the particle size and structure of superfine AP in the composites prepared by different methods were not changed. The XRD and IR techniques in this study were unable to characterize the dispersion of nano-CuO in the composites due to its low content. The dispersion of nano-CuO in the nano-CuO/superfine AP composites was significantly enhanced with the increase of grinding strength and grinding time, and the dispersion of nano-CuO was positively correlated with its catalytic performance, which means that the thermal decomposition performance of different composites improved with the increasing dispersion of nano-CuO. Highly dispersed nano-CuO exhibited a significant catalytic effect on superfine AP in TG-MS. The above conclusions demonstrate the accuracy of the difference equation for evaluating the dispersion of nanomaterials based on solid UV curves, which is expected to be used extensively in evaluating the dispersion of nanocatalytic materials in energetic materials.

The positive correlation between the dispersion and catalytic performance of Fe2O3 nanoparticles in nano-Fe2O3-ultrafine AP energetic composites supported by solid UV-vis spectroscopy.

Recently, the widespread use of nanocatalytic materials has contributed to an enormous improvement in the performance of energetic materials, especially, highly dispersed nanomaterials. However, the lack of quantitative methods for analyzing the dispersion of nanomaterials limits their further widespread use. Although various techniques such as scanning electron microscopy (SEM), transmission electron microscopy (TEM), etc. are used to analyze the relative dispersion of nanomaterials, it is not possible to quantitatively analyze their dispersion. Therefore, there has been an effort to develop new methods for the quantitative analysis of nanocatalytic materials. Fortunately, we were able to analyze the dispersion of nanocatalytic materials using the difference in their UV absorbance. More importantly, we established the corresponding difference equation to quantify the dispersion of nanocatalytic materials, which is capable of quantifying the dispersion of nano-Fe2O3 in nano-Fe2O3-ultrafine AP composites. The accuracy of the difference equation was verified using a variety of techniques and the desired results were obtained. Based on the above conclusions, the quantitative analysis method for the dispersion of nanomaterials that we established is expected to be widely used and promote the development of energetic materials.

Synthesis of Covalently Modified Energetic Graphene Oxide/CuO Composites with Enhanced Catalytic Performance for Thermal Decomposition of Ammonium Perchlorate.

In this study, a new covalently modified energetic graphene oxide (CMGO) was synthesized by introducing the energetic component 4-amino-1,2,4-triazole on GO sheets through valence bond bonding. The morphology and structure of CMGO were studied by scanning electron microscopy, energy-dispersive spectroscopy, Fourier transform infrared spectroscopy, Raman spectroscopy, X-ray diffractometry, and X-ray photoelectron spectroscopy, and the results showed that CMGO was successfully synthesized. Then, CMGO/CuO was prepared by loading nano-CuO onto CMGO sheets using an ultrasonic dispersion method. Furthermore, the catalytic effect of CMGO/CuO on the thermal decomposition of ammonium perchlorate (AP) was investigated using differential scanning calorimetric technique and thermogravimetric analysis. The results revealed that the high decomposition temperature TH and Gibbs free energy ΔG⧧ of the CMGO/CuO/AP composite decreased by 93.9 °C and 15.3 kJ/mol compared with those of raw AP, respectively. The CMGO/CuO composite exhibited more significant catalytic effect on the thermal decomposition of AP than GO/CuO, and the heat release Q of CMGO/CuO/AP was greatly increased from 132.9 to 1428.5 J/g with 5 wt % CMGO/CuO. The above results demonstrated that CMGO/CuO is an excellent composite energetic combustion catalyst, which is expected to be widely used in composite propellants.

Equal-Material Manufacturing of a Thermoplastic Melt-Cast Explosive Using Thermal-Pressure Coupling Solidification Treatment Technology.

To eliminate internal defects of grains developed during melt-cast charging, the formation mechanism and the trend of crystal morphology of internal defects of 2,4,6-trinitrotoluene and 2,4-dinitroanisole-based melt-cast explosives under different process conditions were simulated. The effects of solidification treatment on melt-cast explosive molding quality were investigated by combining pressurized feeding, head insulation, and water bath cooling. The single pressurized treatment technology results showed that grains were exposed to layer-by-layer solidification from outside to inside, resulting in V-shaped shrink areas of the contract cavity in the core. The defect area was proportional to the treatment temperature. However, the combination of treatment technologies, such as head insulation and water bath cooling, promoted longitudinal gradient solidification of the explosive and controllable migration of its internal defects. Moreover, the combined treatment technologies effectively improved the heat transfer efficiency of the explosive with the help of a water bath to reduce the solidification time, thus achieving highly efficient equal-material manufacturing of microdefect or zero-defect grains.

Molecular Engineering of Binder for Improving the Mechanical Properties and Recyclability of Energetic Composites.

Mechanical properties and reprocessing properties are of great significance to the serviceability and recyclability of energetic composites. However, the mechanical robustness of mechanical properties and dynamic adaptability related to reprocessing properties are inherent contradictions, which are difficult to optimize at the same time. This paper proposed a novel molecular strategy. Multiple hydrogen bonds derived from acyl semicarbazides could construct dense hydrogen bonding arrays, strengthening physical cross-linking networks. The zigzag structure was used to break the regular arrangement formed by the tight hydrogen bonding arrays, so as to improve the dynamic adaptability of the polymer networks. The disulfide exchange reaction further excited the polymer chains to form a new "topological entanglement", thus improving the reprocessing performance. The designed binder (D2000-ADH-SS) and nano-Al were prepared as energetic composites. Compared with the commercial binder, D2000-ADH-SS simultaneously optimized the strength and toughness of energetic composites. Due to the excellent dynamic adaptability of the binder, the tensile strength and toughness of the energetic composites still maintained the initial values, 96.69% and 92.89%, respectively, even after three hot-pressing cycles. The proposed design strategy provides ideas for the design and preparation of recyclable composites and is expected to promote the future application in energetic composites.

Modulating crystal and electronic structure of NiFe-MOFs by inorganic acid for highly efficient electrochemical water oxidation.

Seeking new methods to modulate the structure of metal-organic frameworks (MOFs) for diverse applications, particularly for water splitting, is intensively urgent but challenging. Herein, a simple hydrothermal method employing HCl as the modulator is developed to synthesize a series of NiFe-MOF-n/NF. The amount of HCl modulator not only changes the elemental composition and crystal structure but also modulates the electronic structure of NiFe-MOF-n/NF, thus improving intrinsic activity. Owing to the synergetic interactions between Ni and Fe atoms, free-standing feature, the optimized NiFe-MOF-2/NF yields excellent OER activity with overpotentials of 209 and 260 mV at 10 and 100 mA cm-2, respectively, a small Tafel slope of 36.4 mV dec-1 and excellent OER stability for 24 h at 100 mA cm-2 in 1 M KOH. This demonstrates that NiFe-MOF-2/NF are in situ converted into metal oxide/oxyhydroxide after OER, thereby serving as the real active sites. This study offers a feasible way to fabricate low-cost, efficient MOF-based electrocatalysts.

Dense, Three-Dimensional, Highly Absorbent, Graphene Oxide Aerogel Coating on ZnCo2O4/ZnO Particles Exerts a Synergistic Catalytic Effect for Ammonium Perchlorate Thermal Decomposition.

As a new type of carbon material, graphene oxide aerogel (GA) is widely used in catalysis due to its porous structure, high-efficiency adsorption, and superb conductivity. In this study, GA was prepared into a dense coating layer surrounding ZnCo2O4/ZnO particles to form a composite GA-ZnCo2O4/ZnO by means of a hydrothermal, blast drying, and vacuum-freeze-drying approach applied to catalyze the thermal decomposition of ammonium perchlorate (AP). The physicochemical properties of the obtained GA-ZnCo2O4/ZnO were characterized by different analytical methods. Scanning electron microscopy (SEM) analysis exhibited that GA is coated on the surface of ZnCo2O4/ZnO, forming a dense layer. Brunner Emmet Teller (BET) measurement results show that GA-ZnCo2O4/ZnO has a smooth macropore distribution curve and a larger specific surface area. Moreover, The catalytic effect investigation on AP with GA-ZnCo2O4/ZnO: the high temperature decomposition (HTD) peak temperature of AP in the presence of 5 wt % GA-ZnCo2O4/ZnO was reduced from 441 to 294 °C, and the exotherm of AP was expanded from 205 to 1275 J/g at a heating rate of 15 °C/min. Through the calculation, GA-ZnCo2O4/ZnO makes the activation energy and Gibbs free energy of the AP pyrolysis lower so that the reaction is easier to occur. Thermogravimetric-mass (TG-MS) spectrometry revealed that during thermal decomposition of AP, GA-ZnCo2O4/ZnO leveraged the synergistic catalysis of ZnCo2O4/ZnO and GA that boosted the flow of electrons from ClO4- to O2 and increased the absorption of the gas product to accelerate the AP pyrolysis. These results provided a facile strategy to prepare GA-based composite catalysts with extraordinary application prospects in the domain of solid propellants.

Theoretical simulation study on crystal property and hygroscopicity of ADN doping with nitramine explosives (RDX, HMX, and CL-20).

To effectively modify the strong hygroscopicity of ammonium dinitramide (ADN) crystal, the modification of ADN crystal in the 298 K under vacuum environment was studied through theoretical calculation. Three kinds of energetic nitramine molecules (X = RDX, HMX, and CL-20) were inserted into ADN crystal in different proportions (the molecular ratios of ADN to X are 6/1, 12/1, 18/1, and 24/1), to form a total of 12 kinds of designed ADN crystals. The results show that with the modification of ADN crystal with RDX, HMX, and CL-20, the crystal space group, cell parameters, crystal density, and growth morphology will be changed under vacuum conditions. According to the analyses of adsorption heat data, four proportional modification systems all reduced the hygroscopicity of ADN crystal to varying degrees. It is worth noting that the hygroscopicity of modified ADN crystal tends to decrease with the increase of the proportion of doping molecules, but the stability gradually deteriorates, especially 18ADN/1CL-20 and 24ADN/1CL-20. Although they have an excellent anti-moisture effect, from the perspective of crystal energy stability, the actual syntheses of these two kinds of crystal cells are the most difficult. Combined with the energy stability and hygroscopicity analysis, 1HMX/24ADN crystal is a more suitable anti-hygroscopicity modification scheme among the doped ADN crystals. In this case, the isothermal adsorption heat of ADN crystal decreases from 0.692 kcal/mol to 0.573 kcal/mol. The theoretical simulation study of ADN doping modification in a vacuum will provide significant references for ADN modification in the actual situation.

Evaluation of Blend Uniformity and Terminal Point during Continuous Mixing in Water for Modified Double-Base Propellant Components Using a Near-Infrared Method.

A near-infrared (NIR) spectrometer was used to test the double-base absorbent powder sample and to quantitatively analyze the contents of each component as well as their dispersion uniformity to establish a rapid quantitative test method for blending uniformity of modified double-base (MDB) propellant components. First, the quantitative calibration models of hexahydro-1,3,5-trinitro-1,3,5-triazine (RDX) were constructed based on sample testing, and the RDX model's correlation coefficient was 0.9929. Then, during the blending process, NIR spectra were continually collected. For the original spectra of samples, the blend uniformity was assessed using the coefficient of moving block standard deviation (MBSD). After 160 min, the sample's MBSD value had reached a steady state of less than 0.003, indicating that the sample's components were distributed uniformly. The findings reveal that NIR spectroscopy can be used to verify the blending uniformity of MDB propellant components.

Effect of Material Properties on the Foaming Behaviors of PP-Based Wood Polymer Composites Prepared with the Application of Spherical Cavity Mixer.

For the low weight and high strength, the microcellular extrusion foaming technology was applied in the preparation of polypropylene (PP)-based wood polymer composites, and the spherical cavity mixer was used to construct an experimental platform for the uniform dispersion of wood flour (WF). The effects of PP molecular configuration on the composite properties and cell morphology of samples were also investigated. The experimental results indicated that the application of a spherical cavity mixer with a cavity radius of 5 mm could effectively improve the mixing quality and avoid the agglomeration of WF. In addition, compared with the branched molecule, the linear molecule not only increased the melting temperature by about 10 °C, but also endowed composites with a higher complex viscosity at a shear rate lower than 100 s-1, which contributed to the cell morphology of more microporous samples.

Amido-Functionalized Magnetic Metal-Organic Frameworks Adsorbent for the Removal of Bisphenol A and Tetracycline.

In this paper, amido-functionalized MOFs with core/shell magnetic particles (Fe3O4@MIL-53(Al)-NH2) was prepared by the solvothermal method and characterized by X-ray diffraction (XRD), transmission electron microscopy (TEM), scanning electron microscopy (SEM), Fourier transform infrared (FT-IR), Vibrating Sample Magnetometer (VSM) and UV/VIS spectrophotometer. The influence of different factors on the adsorption effect of the pollutant, including adsorbent amounts, adsorption time, ionic strength and pH, were explored. It was found that the amine-decorated Fe3O4@MIL-53(Al)-NH2 were efficient for removal of contaminant, with the adsorption capacity for bisphenol A (234.1 mg/g) and tetracycline (84.8 mg/g) under the optimized conditions. The adsorption kinetics and the equilibrium adsorption data indicated that the adsorption process of BPA and TC was more compatible with the pseudo-second-order kinetic model and the Langmuir model, respectively. The thermodynamic values show the adsorption of the mentioned contaminant was spontaneous and endothermic. Moreover, the Fe3O4@MIL-53(Al)-NH2 adsorbent had good regeneration and reusability capacity after five cyclic utilization. All these results show Fe3O4@MIL-53(Al)-NH2 adsorbent could be a potential candidate for future water purification.

Effective Magnetic MOFs Adsorbent for the Removal of Bisphenol A, Tetracycline, Congo Red and Methylene Blue Pollutions.

A magnetic metal-organic frameworks adsorbent (Fe3O4@MIL-53(Al)) was prepared by a typical solvothermal method for the removal of bisphenol A (BPA), tetracycline (TC), congo red (CR), and methylene blue (MB). The prepared Fe3O4@MIL-53(Al) composite adsorbent was well characterized by scanning electron microscope (SEM), transmission electron microscope (TEM), X-ray diffraction (XRD), and fourier transform infrared spectrometer (FTIR). The influence of adsorbent quantity, adsorption time, pH and ionic strength on the adsorption of the mentioned pollutants were also studied by a UV/Vis spectrophotometer. The adsorption capacities were found to be 160.9 mg/g for BPA, 47.8 mg/g for TC, 234.4 mg/g for CR, 70.8 mg/g for MB, respectively, which is superior to the other reported adsorbents. The adsorption of BPA, TC, and CR were well-fitted by the Langmuir adsorption isotherm model, while MB followed the Freundlich model, while the adsorption kinetics data of all pollutants followed the pseudo-second-order kinetic models. The thermodynamic values, including the enthalpy change (ΔH°), the Gibbs free energy change (ΔG°), and entropy change (ΔS°), showed that the adsorption processes were spontaneous and exothermic entropy-reduction process for BPA, but spontaneous and endothermic entropy-increasing processes for the others. The Fe3O4@MIL-53(Al) was also found to be easily separated after external magnetic field, can be a potential candidate for future water treatment.

Significantly Enhanced Thermal Decomposition of Mechanically Activated Ammonium Perchlorate Coupling with Nano Copper Chromite.

In this article, nano-CuCr2O4 (copper chromite)/ultrafine ammonium perchlorate (AP) composites were prepared by a ultrasonic dispersion method and a mechanical grinding method. A series of nano-CuCr2O4/ultrafine AP composites with different dispersions were prepared by controlling the compounding time to study the best catalytic effect of nano-CuCr2O4 on the ultrafine AP. The microstructures, surface elements, and morphologies of samples were analyzed by X-ray diffraction, Fourier transform infrared spectroscopy, scanning electron microscopy, and energy dispersion X-ray spectroscopy. The catalytic effect of nano-CuCr2O4 on the thermal decomposition of AP was investigated by differential scanning calorimetric techniques and thermogravimetric analysis. The results indicated that the mechanical ball milling method could make nano-CuCr2O4 more evenly dispersed on the ultrafine AP, and with the increase in the milling time, the uniformity of nano-CuCr2O4 on the ultrafine AP was better. When the milling time was 6-12 h, nano-CuCr2O4 was most evenly dispersed on the ultrafine AP. At this time, the decomposition temperature and Gibbs free energy of the nano-CuCr2O4/ultrafine AP composite were the lowest, which decreased by 78.1 °C and 25.16 kJ/mol compared with those of ultrafine AP, respectively. Moreover, the mechanical sensitivity of nano-CuCr2O4/ultrafine AP composites was lower than that of ultrafine AP. It showed that ball milling for 6-12 h could make nano-CuCr2O4 evenly dispersed on the ultrafine AP, and nano-CuCr2O4 could play the best catalytic effect on the ultrafine AP.

Fabrication of thermoresponsive metal-organic nanotube sponge and its application on the adsorption of endocrine-disrupting compounds and pharmaceuticals/personal care products: Experiment and molecular simulation study.

Thermoresponsive metal-organic nanotube modified (MONT-pNIPAM, pNIPAM = poly N-isopropylacrylamide) sponge was synthesized using the dip-coating method and served as an adsorbent for endocrine-disrupting compounds (EDCs) and pharmaceuticals/personal care products (PPCPs) removal. The material was characterized using Fourier transform infrared spectroscopy, scanning electron microscopy, X-ray diffraction, and N2 sorption-desorption. Nonlinear regression-based equations were derived to optimize pH and ionic strength during process. Though thermoresponsive polymer phase transition between dissolve and aggregate, realizing the adsorption tunnel "ON-OFF" under the temperature control. Adsorption kinetics and isotherms were investigated on the basis of a static experiment. The pseudo-second-order kinetic model and the Langmuir isotherm were fitted well to characterize adsorption. At an initial concentration of 50 mg L-1, maximum adsorption capacity were 128 mg/g, 184 mg/g and partition coefficient were 1.09 mg g-1 µM-1, 1.13 mg g-1 µM-1 for dibutyl phthalate (DBP) and parachlorometaxylenol (PCMX), respectively. The density-functional theory (DFT) was applied to calculate the interaction energy and investigate the possible mechanism. Combining the experimental data with theoretical calculation, results demonstrated that the MONT-pNIPAM sponge was a highly efficient adsorbent material that was suitable for the removal of EDCs/PPCPs from water.

CuO/PbO Nanocomposite: Preparation and Catalysis for Ammonium Perchlorate Thermal Decomposition.

In this present article, we reported a facile and efficient milling method to prepare a series of CuO/PbO nanocomposite metal oxides (CuO/PbO NMOs), with CuO/PbO molar ratios of 1:2, 1:1, 1:0.5, and 1:0.25 as a potential catalyst to catalyze the thermal decomposition of ammonium perchlorate (AP). The obtained CuO/PbO NMOs were systematically characterized. X-ray diffraction (XRD), X-ray energy-dispersive spectrometry (EDS) and X-ray photoelectron spectroscopy (XPS) analyses showed that the characteristic peaks of CuO/PbO NMOs were almost the superposition of nano CuO and nano PbO, while few new weak peaks were observed resulting from the lattice defects and new structural arrangements and chemical bonds between nano CuO and nano PbO during a high-energy grinding process. Scanning electron microscopy (SEM) and transition electron microscopy (TEM) observations exhibited that the particle sizes of the CuO/PbO NMOs were distributed in the range of 10-20 nm. Thermogravimetric (TG) analysis coupled with differential scanning calorimetric (DSC) techniques verified that CuO/PbO NMOs with a CuO/PbO molar ratio of 1:1 presented the best catalytic effect for AP thermal decomposition among the other CuO/PbO NMOs, as well as the single nano CuO and nano PbO. The outstanding catalytic performance is mainly reflected as follows: shifting the peak temperature of AP in high-temperature decomposition stages from 441.3 to 347.6 °C, increasing the decomposition heat of AP from 941 to 1711 J/g, and decreasing the Gibbs free energy of AP from 199.8 to 172.1 kJ/mol, supporting the existence of a synergistic catalytic effect between nano CuO and nano PbO.

Preparation and Characterization of Nano-CL-20/TNT Cocrystal Explosives by Mechanical Ball-Milling Method.

Nano-CL-20/TNT cocrystal explosive was successfully prepared by mechanical ball milling with 0.38 mm grinding beads. The micromorphology and particle size of cocrystal explosive were characterized by scanning electron microscopy. The average particle size of nano-CL-20/TNT cocrystal explosive was 119.5 nm and showed a spherical-like micromorphology. The crystal structure of cocrystal explosive was characterized by powder X-ray diffraction, infrared spectroscopy, and Raman spectroscopy. The results show that mechanical ball milling does not change the molecular structure of the raw material, but the sample after ball milling has a new crystal phase, rather than a simple mixing of raw materials. Differential scanning calorimetry tests show that nano-CL-20/TNT cocrystal explosive has a higher decomposition temperature; impact sensitivity tests show that the properties of cocrystal explosive are 26 and 21.7 cm higher than those of CL-20 and CL-20/TNT mixture, respectively, which indicates that nano-CL-20/TNT cocrystal explosive has better thermal stability and safety.

Synthesis of 3D flower-like Fe3S4 microspheres and quasi-sphere Fe3S4-RGO hybrid-architectures with enhanced electromagnetic wave absorption.

3D flower-like Fe3S4 microspheres and quasi-sphere Fe3S4-RGO hybrid-architectures were successfully fabricated by a facile template-free hydrothermal method. The results of morphology revealed that the single Fe3S4 was composed of many nanoflakes and the Fe3S4-RGO composites mainly distributed together into a ball up and down the RGO sheet. The electromagnetic parameters of the single Fe3S4 and Fe3S4-RGO composites could be controlled by adjusting different filler loading and the addition of different GO to achieve impedance matching. Both the single Fe3S4 and Fe3S4-RGO composites exhibited an excellent EM absorption ability. The minimum reflection loss (RL) of the single Fe3S4 with 50% filler loading could achieve -66.87 dB at 10.57 GHz for the thickness of 2.2 mm, and the absorption bandwidth (RL < -10 dB) could reach 3.49 GHz. For the Fe3S4-RGO composites, the minimum RL of FSR-1 could be -40.25 dB at 9.67 GHz with the thickness of 2.0 mm. In addition, the effective absorption bandwidth of FSR-2 could reach 3.85 GHz at only 1.45 mm and the minimum RL was -29.25 dB at 14.24 GHz. Consequently, the single Fe3S4 and Fe3S4-RGO composites are promising materials as a high performance and adjustable EM wave absorber.