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CHEMICAL ENGINEERING JOURNAL · 2025 · IF 13.2

Synergistic coupling of micro-explosive and catalysis combustion enabled by high‑nitrogen energetic compounds: An innovation in HTPB regression rate modulation for hybrid propulsion

Lianpeng Cui,Jie Zhang,Xi Chen,Honghong Qin,Kangzhen Xu,Xiaolong Fu,Suhang Chen

Hybrid rockets present an attractive option for small, low-cost launch vehicles, space tourism and exploration, owing to their features of intelligent remote control of thrust and switch, rapid response capabilities, cost-effectiveness, environmental friendliness. However, it suffers from low regression rate ( r f ) of solid fuels relating to difficult vaporization of fuel and low heat feedback from diffusion-dominated combustion. Herein, high‑nitrogen energetic compounds (HNEC) sodium azotetrazole (STZ) and 4,4′,6,6′-tetraazido-1,3,5-triazine (TAHT) were employed into hydroxyl-terminated polybutadiene (HTPB) fuels to amplify its r f and thermal decomposition with minimizing formulation complexity, respectively. Here the STZ was prepared by one-step oxidation coupled with spray-drying and TAHT was prepared by two-step method of hydrazine uncoupling and diazotization. The combustion regression process of fuels at oxygen flow were measured at hybrid propellent combustion platform to determine the r f and micro-explosion combustion. The r f of the 5 wt% STZ and TAHT formulation reached 2.84 and 3.46 mm/s at an oxygen mass flux ( G ox ) of 200 kg/m 2 ·s, increasing by 300.00 % and 387.32 % compared to pure HTPB. Upon the cessation of combustion, the scanning electron microscope (SEM) image of the HNEC material showed a porous layer structure, ensuring sufficient contact between fuel and oxygen and accelerating r f . Furthermore, HNEC had a catalytic decomposition effect on HTPB via the differential scanning calorimetry (DSC) tests, where the decomposition end temperature ( T end ) of the heat classification was maximum advanced by 71.03 (5 wt% STZ) and 20.64 °C (5 wt% TAHT). Above analysis results indicate that cost-effective HNEC overcome the thermal feedback limitations of conventional fuels through a micro-explosion and catalyze synergistic mechanism, as well will offer a novel direction for combustion rate control in hybrid rocket propulsion.

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Crystals · 2022 ·Vol. 12 ·期 7 ·948 · IF 2.67

Effect of 5-Amino-1H-Tetrazole on Combustion Pyrolysis Characteristics and Kinetics of a Combustion Tear Gas Mixture

Haolong Zhai,Xiaoping Cui,Yuping Gan

Taking the combustion tear gas mixture as the research object, the system formula was optimized by adding a different mass fraction of 5-amino-1H-tetrazole(5AT). TG-DSC, a thermocouple, and a laser smoke test system were used to characterize the characteristic combustion parameters such as combustion temperature and velocity, as well as the end-point effects such as smoke concentration and particle size. Starink’s method, the Flynn–Wall–Ozawa method, and the Coats–Redfern method were used to evaluate the pyrolysis kinetic parameters of the samples. The results show that when the mass fraction of 5-amino-1H-tetrazole in the system is 10%, the maximum combustion temperature of the sample decreases by nearly 70 °C and the smoke concentration increases by 12.81%. The kinetic study also found that with a different mass fraction of 5-amino-1H-tetrazole in the system, the main reaction model of the mixed agent in the first, third, and fourth stages of pyrolysis changed significantly, but for the second stage of sample pyrolysis, the main reaction model (the A4 model) showed a high degree of consistency, which can be considered as the thermal diffusion stage of the tear agent capsicum oleoresin (OC) (the temperature range is 220~350 °C), which is highly consistent with the results of the TG-DSC analysis. It was also confirmed that OC’s thermal diffusion is mainly concentrated in this stage. The results of this study show that adding an appropriate amount of the combustible agent 5-amino-1H-tetrazole to the combustion tear gas mixture can improve its combustion performance and smoking performance, which provides an important, new idea for the development of a new generation of safe, efficient, and environmentally friendly tear gas mixtures.Keywords:5-amino-1H-tetrazole;tear gas mixture;combustible agent;combustion pyrolysis characteristics;dynamics research

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CHEMISTRY & BIODIVERSITY · 2022 ·Vol. 19 ·期 10 ·e202200648 · IF 2.745

Design, Synthesis and Anticancer Activity of Novel Steroidal Derivatives with D-Ring Fused or Substituted N-Heterocyclic Systems

Xiao-San Li,Mao-Xun Yang,Yu-Hao Luo,He-Hui Zhan,Mei-Fang Chen,Yong-Mei Huang,Li Liu,Xue-Mei Yang

A series of novel D-ring fused or substituted steroidal N-heterocycles were synthesized, and their chemical structures were characterized by spectroscopic analysis. The anticancer activity of these compounds against four human cancer cell lines (MCF-7, H1299, HeLa and HepG2) were evaluated and the structure-activity relationship (SAR) was also investigated. Compound 3c displayed significant inhibitory activity on the four cancer cells with IC 50 values ranging from 3.88 to 10.05 μM. Overall, these studies indicated that construction of N-heterocyclic system with D-ring substituted containing a double bond at C-16 and C-17 or D-ring fused with [17,16-d]azolo[1,5-a]pyrimidine could be a promising strategy to improve antitumor activity for steroids deserved further investigation. Graphical

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ChemSusChem · 2021 ·Vol. 15 ·期 2 ·e202101965 · IF 8.928

Amino-Linked Conjugated Tetrazole Ring Passivation Strategy for Air-Processed Perovskite Cells with Predominant Stability and Efficiency

Yaxin Deng,Hongxia Zhang,Xin Li,Rui Wang

Graphical A passive approach : 5-Aminotetrazole (5ATZ) is introduced for the first time as an effective passivator for perovskite solar cells (PSCs), anchoring defects and preventing further unavoidable ion migration and device degradation. Extensive π-electron delocalization around the tetrazole conjugated ring significantly promotes charge transfer. 5ATZ-processed PSCs provide enhanced voltage and current with excellent performance and improved stability. Perovskite solar cells (PSCs) develop rapidly with certified efficiency over 25.5 %, but there are remaining problems such as defects-induced recombination and degradation throughout the whole device. Functional organic small molecule passivation strategies are diverse and efficient, enhancing the efficiency and stability of PSCs. Here, 5-aminotetrazole (5ATZ) was introduced for the first time as an effective passivator, where −NH 2 and −NH as active sites interacted with the Pb and I related to vacancy defects in perovskites, anchoring defects and preventing further unavoidable ion migration and device degradation. Furthermore, the extensive π-electron delocalization around the tetrazole conjugated ring significantly promoted the charge transfer. Therefore, the 5ATZ-processed PSCs provided enhanced voltage and current, showed superior 19.75 % power conversion efficiency with excellent performance and improved stability, and demonstrated one of the best performances in all-air preparation to date. The simultaneous multi-effect passivation strategy of vacancy defects in perovskites will contribute to eliminate obstacles on the road to commercialization of PSCs.

CAS / MDL: 4418-61-5
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CHEMICAL ENGINEERING JOURNAL · 2021 · IF 13.273

Design and preparation of AP/M(5-ATZ)4Cl2 (M = Cu, Co) self-assembled intermolecular energetic materials

Wei Liu,Taixin Liang,Jiangbo Zhang,Fei Xiao,Houhe Chen

Intermolecular energetic materials (IEMs) have become the focus of attention due to their excellent performance in combustion, ignition, energy release and sensitivity. In this paper, two IEMs were successfully designed and prepared by the self-assembly of 5-aminotetrazole (5-ATZ) and transition metal ions on the surface of ammonium perchlorate (AP) particles. The scanning electron microscope, infrared spectroscopy, powder X-ray diffraction, thermogravimetric analyses, and differential thermal analyses were employed to characterize the prepared samples. The results show that the surface of AP particles is completely covered by a uniform and dense M(5-ATZ) 4 Cl 2 (M = Cu, Co) self-assembled layer. Thermal analyses show that the high-temperature decomposition peak temperatures of AP/Cu(5-ATZ) 4 Cl 2 (10 wt%) and AP/Co(5-ATZ) 4 Cl 2 (10 wt%) are decreased by 93.3 °C and 127.1 °C compared to the case of pure AP, while the heat releases of them are increased by 539 J∙g −1 and 580 J∙g −1 . In addition, the burning rates of AP/Cu(5-ATZ) 4 Cl 2 /Al (10 wt%) and AP/Co(5-ATZ) 4 Cl 2 /Al (10 wt%) are increased by 6.8 mm∙s −1 and 7.8 mm∙s −1 compared with the case of AP/Al. Moreover, the hygroscopicity tests show that the prepared samples do not agglomerate aftter being placed in the atmosphere with a relative humidity of 79% for 66 h. This research shows considerable application prospects in improving the combustion and energy performance of solid propellants, it is also a reference for the design and preparation of other novel IEMs.

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RSC Advances · 2020 ·Vol. 11 ·期 2 ·711-720 · IF 3.119

Amino-1H-tetrazole-regulated high-density nitrogen-doped hollow carbon nanospheres for long-life Zn–air batteries

Shizhu Song,Tao Yang,Rongwei Shi,Qi Li

High-density nitrogen-doped porous carbon catalysts have been regarded as promising alternatives to precious metals in proton-exchange membrane fuel cells (PEMFC) and metal–air batteries based on the oxygen reduction reaction (ORR). We herein synthesized high-density pyridinic and graphitic N-doped hollow carbon nanospheres (G&P N-HCS) using a high-yield amino-1H-tetrazole (ATTZ) via a self-sacrificial-template method. The synthesized G&P N-HCS shows a high N content (15.2 at%), in which pyridinic (Pr) and graphitic (Gr) N are highly reactive for the ORR catalysis. We found that the half-wave potential and limiting current density of G&P N-HCS are comparable to the state-of-the-art Pt/C, whereas its cyclic durability is much superior to that of Pt/C. Experimental results indicate that an optimal ratio (1 : 1) between Gr N and Pr N in G&P N-HCS exhibits the highest ORR performances, rather than Gr N-dominated N-HCS or Pr N-dominated N-HCS. Notably, N-HCS containing only Gr N and Pr N has poor catalytic performance for ORR in alkaline electrolytes. Density functional theory (DFT) simulations untangle the catalytic nature of Pr and Gr N and decipher the relations between the N type(s) and total N content required for the ORR catalysis. This study provides a new way to design efficient N-doped porous carbon-enriched active sites, and solves the cathode catalyst in the commercialization of PEMFC and metal–air batteries.

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ANALYTICA CHIMICA ACTA · 2020 · IF 5.977

Multicolor nitrogen dots for rapid detection of thiram and chlorpyrifos in fruit and vegetable samples

Zhijiao Tang,Zhengyi Chen,Gongke Li,Yuling Hu

The development of sensitive fluorescence sensors and efficient preparation of samples is a challenge in the detection of pesticides in complex samples. In this study, multicolor nitrogen dots (M-Ndots) were synthesised via microwave irradiation at 140 °C for 10 min with 5-amino-1H-tetrazole and p-phenylenediamine as precursors, which have a high fluorescence quantum yield of up to 31%. Furthermore, the M-Ndots were employed as fluorescence sensors for pesticide detection by being combined with a gas membrane separation device, to eliminate the interference from the complex sample matrix. In this process, the M-Ndots were used for sensing thiram and chlorpyrifos through their affinities to Cu 2+ and Fe 3+ , respectively. Because thiram could decompose into volatile CS 2 , its derivate was sensed using the fluorescence of M-Ndots via a complexation reaction with Cu 2+ . Chlorpyrifos, due to its volatility, can reduce the Fe 3+ ion by inhibiting the activity of acetylcholinesterase , which produces H 2 O 2 to oxidise Fe 2+ . In a real application, the time consumption for 96 samples was less than 30 min in one run of the gas membrane separation device. The recoveries for thiram and chlorpyrifos ranged from 90.0% to 115.0%, and the analytical results were validated using LC-MS/MS methods, with relative errors ranging from −7.4% to 10.1%.

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JOURNAL OF THERMAL ANALYSIS AND CALORIMETRY · 2019 ·Vol. 143 ·期 1 ·609-618 · IF 2.471

Thermal decomposition behavior, kinetics, thermal safety and burning characteristics of guanidinium-5-aminotetrazole (GA) based propellants

Cao Chengyang,Zhang Dan,Lu Song,Liu Changcheng

Guanidinium-5-aminotetrazole (GA) was synthesized by mixing 5-aminotetrazole (5-AT) and guanidine carbonate in heated deionized water. The composite propellants containing GA and differential oxidizers (Sr(NO 3 ) 2 , KNO 3 , NaNO 3 ) were prepared, and its structural characteristics, thermal decomposition behavior, kinetics, thermal safety and burning characteristics were investigated. The thermal analysis results showed that the decomposition of GA based propellants could be separated into five stages, consisting of one phase change reaction, one exothermic reaction and three endothermic reactions. The reaction mechanisms of each decomposition stage were also researched and considered it was following reaction order models. The thermal safety evaluations were conducted using the obtained related parameters of the exothermic reaction. Combined with the burning characteristics measurement results, GA coupled with Sr(NO 3 ) 2 represented a higher thermal safety and more stale combustion process than other two propellant samples, which is also act as a promising formulation to substitute 5-AT based propellant in fire-fighting area.

CAS / MDL: 4418-61-5 593-85-1
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INTERNATIONAL JOURNAL OF HYDROGEN ENERGY · 2019 · IF 4.084

4-Aminopyridine grafted sulfonated poly(arylene ether ketone sulfone) proton exchange membrane with high relative selectivity for fuel cells

Chunmei Wang,Hai Qiang Li,Zhe Wang,Jingmei Xu,Chang Liu,Wenchang Liu,Zhaoyu Chen,Xinming Du

A series of sulfonated poly(arylene ether ketone sulfone)s polymer having a degree of sulfonation of 80% and a carboxyl group in the side chain (C-SPAEKS) were prepared by polycondensation . The 4-aminopyridine grafted sulfonated poly(arylene ether ketone sulfone)s polymer membranes (SPPs) were prepared by amidation reaction with the carboxyl group to immobilize 4-aminopyridine on the side chain. The 1 H NMR results and Fourier transform infrared of SPP membranes demonstrated the successful grafting of the 4-aminopyridine. Proton conductivity , water absorption, swelling ratio, and thermal stability of different proportions of SPP membranes were investigated under the different conditions. With the increase of pyridine grafting content, the methanol permeability coefficient of the membrane decreased significantly from 8.17 × 10 −7 cm 2 s −1 to 8.92 × 10 −8 cm 2 s −1 at 25 °C. And, the proton conductivity and relative selectivity of the membrane were positively correlated with the grafted pyridine content. Among them, the SPP-4 membrane exhibited the highest proton conductivity of 0.088 Scm −1 at 100 °C. The relative selectivity increased from 4.73 × 10 4  S scm −3 to 9.84 × 10 4  S scm −3 .

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THERMOCHIMICA ACTA · 2023 · IF 3.5

Experimental insight into interaction mechanism of guanidinium-5-aminotetrazole (GA) and nitrocellulose

Yongchen Zhu,Jianwei Zhang,Weidong He

5-Amino-1H-tetrazole (5-ATZ), an environmentally friendly energy-containing material for new propellants, is gradually applied in high-energy propellants and its ionic salt compounds have received wide attention. This study focused on investigating the interaction mechanism of guanidinium-5-aminotetrazole (GA) and nitrocellulose (NC) by kinetic methods and TG-DSC-FTIR analysis. DSC and TG experiments indicated that there was a certain interaction during the pyrolysis process of NC and GA. Comparing the kinetic models of NC and peak 3 in NC-GA, it can be found that the addition of GA mainly affected the m-value and contribution in the second step B→C, and the mechanism function changed from F n to C n,m. TG-DSC-FTIR experiments indicated that the initial decomposition product of NC, NO 2 , participated in the thermal decomposition process of GA, and the two reacted chemically to form CO, N 2 O, which made NO 2 unable to completely oxidize the skeleton of NC to produce CH 2 O, HCOOH.

CAS / MDL: 4418-61-5 593-85-1
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APPLIED SURFACE SCIENCE · 2023 · IF 6.7

Charge redistribution enhanced oxygen reduction of carbon-based electrocatalyst

Yuyu Guo,Shuting Li,Dianyu Xu,Jinxi Han,Zhengqiang Xia,Sanping Chen,Jun Hu,Liping Wei,Zhong Chen,Gang Xie,Shengli Gao,Qi Yang

The surface charge distribution is regarded as a key factor affecting the electrocatalytic performance. Herein, we report a strategy to regulate the surface charge distribution in carbon-based electrocatalyst to enhance its activity and stability in oxygen reduction reaction (ORR). The sample obtained in a sealed reactor N,S co-doped carbon encapsulate Co 9 S 8 nanoparticles (Co 9 S 8 @CNS-S) exhibits excellent ORR performance. X-ray photoelectron spectroscopy, kelvin probe force microscopy and density functional theory simulation were used to investigate the mechanism of performance improvement. The enhanced ORR activity was due to the exposed more positive charge of surface carbon atoms by N, S elements doping synergistic with Co 9 S 8 nanoparticles (NPs). The improved ORR stability was attributed to the carbon layer combination with Co 9 S 8 NPs which greatly suppresses the generation of H 2 O 2 , thus avoiding the erosion of H 2 O 2 on carbon layer during electrocatalysis. This work provides a strategy to regulate electrocatalyst surface charge distribution to achieve active and stable ORR electrocatalyst.

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Journal of Energy Storage · 2019 · IF 3.517

Nitrogen self-doped porous carbon material derived from metal-organic framework for high-performance super-capacitors

Dongqiang Zhang,Jiaxi Wang,Qian Wang,Siyun Huang,Huixia Feng,Heming Luo

Metal-organic framework materials (MOFs) have extensive application prospects as carbon precursors for super-capacitors are of great interest due to diverse microstructures, uniform pore size, high porosity, and tunable pore parameters. Here, nitrogen self-doped porous carbon materials (ZABC-T) derived from [Zn 2 (BTEC) 0.5 (ATZ) 2 (H 2 O) 3 ]·H 2 O (ZAB) have been prepared via a facile and fast carbonization method at different temperature. The nitrogen self-doped porous carbon material (ZABC-800) features a high specific surface area of 1008 m 2  g −1 and high nitrogen content of 4.09%. Consequently, the ZABC-800 shows an excellent specific capacitance of 316.3 F g −1 at 1.0 A g −1 , superior rate capacity, and remarkable cycling stability (81.9% retention after 5000 cycles). This work indicates that the ZABC-T has a great potential as electrode materials for high performance super-capacitors.

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