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DTDA‐THA (tris(hydrazin‐1‐ium)5,5′‐(hydrazin‐1‐ide‐1,2‐diylbis((1H‐tetrazole‐5,1‐diyl)))bis(tetrazol‐2‐ide)) is a novel type of poly‐nitrogen energetic material characterized by high nitrogen content, high enthalpy of formation, and low sensitivity. To research the application of DTDA‐THA in polymer‐bonded explosives (PBXs) and improve the safety performance of DTDA‐THA in composite explosives, this study calculated the binding energies between ethylene‐vinyl acetate copolymer (EVA), polyvinyl butyral (PVB), polyvinyl acetate (PVAc) and DTDA‐THA via density functional theory, respectively. Three types of PBXs molding powders were prepared through the direct method. For further investigation, the moisture absorption of molding powders, the forming density, and the compressive strength of the grains under different binders were characterized. The result of the simulation shows higher binding energy between the crystal surface (2 −1 2) and different binders. The comprehensive order of the binding energies between different binders and the crystal surface of DTDA‐THA was DTDA‐THA@EVA>DTDA‐THA@PVB>DTDA‐THA@PVAc. The experimental results show that the addition of binder reduced the hygroscopicity of DTDA‐THA and improved the sensitivity and mechanical properties of the molding powders. Under the same binder proportion, the formulation prepared by PVAc had a higher molding density, while the formulation prepared by PVB exhibited the best compressive strength. [ABSTRACT FROM AUTHOR]

Cost-effective and earth-abundant oxygen evolution reaction (OER) electrocatalysts are an incredible research hotspot in numerous energy storage and conversion technology fields. Herein, CoS 2 /MoS 2 nanosheets supported by carbon cloth as a dual-active CC@CoS 2 /MoS 2 heterostructure electrocatalyst is prepared through a simple solvothermal method. The catalyst demonstrates admirable OER performance in 1 M KOH solution with a low overpotential of 243 mV at a current density of 10 mA cm -2 and a minor Tafel slope of 109 mV dec -1 , displaying honorable stability after 1000 cyclic voltammetry (CV) cycles and long-term robustness over 60 h. Theoretical calculations further ascertain that the rate-determining step of the electrocatalytic course of the CC@CoS 2 /MoS 2 heterostructure is the conversion *O + OH - → *OOH + e - with a lower energy barrier of 1.49 eV due to the heterojunction established by CoS 2 and MoS 2 , which can promote the OER performance of electrocatalysts. The actual identification of the catalytic mechanism in the heterostructure is conducive to the improvement of electrocatalysis applications in the OER.