Article
Polymer Science
Fuping Wang, Guangyan Du, Chenggen Zhang, Qian-You Wang
Summary: In this study, the sensitivity reduction mechanism of CL-20/TNT cocrystal was explored by molecular dynamics simulations and chemical reaction analysis. The results showed that the chemical reactions and intermediate product formation in the cocrystal were different from the single crystal at different impact velocities.
Article
Chemistry, Multidisciplinary
Yan Li, Wen-Li Yu, Huang Huang
Summary: This study compares the response processes of a CL-20/TNT cocrystal structure and an amorphous structure under shock waves. The results show that the amorphous structure has higher stress and temperature, and the reaction is more intense with more abundant products.
Article
Chemistry, Physical
Ying Yin, Jingkai Wang, Jie Chen, Jie Sun, Heliang Sui
Summary: In this study, the thermal kinetics and decomposition mechanism of the CL-20/BTF cocrystal explosive were investigated. It was found that the cocrystal does not undergo phase transition or solid-liquid melting before decomposition, and its thermal decomposition consists of two parallel autocatalytic paths.
JOURNAL OF PHYSICAL CHEMISTRY C
(2022)
Article
Chemistry, Multidisciplinary
Li Li, Huijun Ling, Jun Tao, Chonghua Pei, Xiaohui Duan
Summary: A high-quality CL-20/HMX cocrystal with a cube-shaped appearance and a particle diameter of 21.8 μm has been successfully prepared using a microchannel-confined crystallization strategy. This cocrystal exhibits a quick energy release rate and high crystal quality.
Article
Chemistry, Multidisciplinary
Wenjin Zhang, Lingxiang Bao, Teng Fei, Penghao Lv, Chenghui Sun, Siping Pang
Summary: A novel cocrystal explosive of CL-20/nitromethane in a 1:2 molar ratio was synthesized, showing high crystal densities and thermal stability with a decomposition temperature of 253 degrees C. It also exhibited exceptional sensitivities and comparable detonation properties among other cocrystals of CL-20.
Article
Physics, Applied
Rafiuzzaman Pritom, Md Shahriar Nahian, Rahul Jayan, Md Mahbubul Islam
Summary: In this study, molecular dynamics simulations with a ReaxFF force field were used to investigate the thermomechanical and chemical response of BOM to shock loading. It was found that BOM has low sensitivity, high detonation velocity, and minimal impact on the environment, making it a suitable substitute for TNT. The study analyzed the conditions for detonation initiation, calculated detonation properties, and predicted reaction intermediates and products.
JOURNAL OF APPLIED PHYSICS
(2023)
Article
Chemistry, Applied
Xiaoxiang Mao, Longfei Jiang, Yifan Li, Xiaoming Wang, Yanchun Li
Summary: The study found that ultrafine treatment of sub-micron sized CL-20 can improve its mechanical sensitivity and lower the decomposition threshold. The reaction models of CL-20 with different particle sizes are all categorized as n-th order reactions with autocatalysis. The change in particle size can significantly impact the apparent activation energy of explosion of CL-20, affecting its thermal sensitivity.
PROPELLANTS EXPLOSIVES PYROTECHNICS
(2021)
Article
Chemistry, Physical
Yiwen Xiao, Lang Chen, Kun Yang, Jianying Lu, Junying Wu
Summary: A quantum-based molecular dynamics technique was used to investigate the reaction mechanism of CL-20/HA under high pressure. The study revealed that structural changes caused by HA insertion and charge overlap between CL-20 and HA resulted in the breaking of the C-N bond and the release of nitro and nitrous oxide at high temperatures and pressures.
PHYSICAL CHEMISTRY CHEMICAL PHYSICS
(2023)
Article
Chemistry, Multidisciplinary
Yan Li, Wen-Li Yu, Huang Huang, Min Zhu, Jin-Tao Wang
Summary: This study investigated the physical and chemical changes of CL-20/TNT co-crystals under shock loading using the molecular dynamics method based on the ReaxFF force field and multi-scale shock technique. The results indicated that the temperature, stress, decomposition rate, and products of the co-crystals were strongly influenced by the direction and velocity of the shock waves. Additionally, the anisotropy brought by the co-crystal structure played a significant role in the reaction processes and the evolution of the cluster.
Article
Engineering, Multidisciplinary
Jiahui Shi, Bidong Wu, Jinqiang Zhou, Dawei Ren, Dongxu Zhang, Chongwei An, Jingyu Wang
Summary: This study prepared binder-coated hexanitrohexaazaisowurtzitane/2,4,6-trinitrotoluene (CL-20/TNT) co-crystal microspheres using droplet microfluidic technology, and investigated the coating effects of different binders. The results showed that this method produced co-crystal microspheres with regular spherical morphology, uniform particle size distribution, and good dispersion. The co-crystal microspheres exhibited better thermal stability and combustion performance compared to the raw material and pure co-crystal.
DEFENCE TECHNOLOGY
(2023)
Article
Chemistry, Multidisciplinary
Binbin Huang, Shuai-Zhong Wang, Xu Zhao, Zhi-Jian Yang, Qi-Long Yan
Summary: This study shows that the sensitivity of epsilon-CL-20 can be reduced and its polymorphic transition temperature and heats of formation can be improved by using cross-linked graphene oxide (GO) to constrain the nano-sized epsilon-CL-20 crystals. Additionally, the impact and friction sensitivities of the modified samples are reduced, and some even show an improvement in specific impulse and detonation performance.
Article
Materials Science, Multidisciplinary
Ling Chen, Yang Qin, Xinfu Cao, Jianbing Gao, Shishuo Liu, Yang Zhang, Jing Tu, Yingbo Wang, Jie Liu, Weidong He
Summary: A novel nitrated bacterial cellulose/nanoenergetic composite was successfully prepared using sol-gel and freeze-drying technologies. The composite showed a unique porous structure and demonstrated promising thermal decomposition and safety performance.
MATERIALS TECHNOLOGY
(2022)
Article
Biochemistry & Molecular Biology
Hai-Chao Ren, Lin-Xiang Ji, Tu-Nan Chen, Xian-Zhen Jia, Rui-Peng Liu, Xiu-Qing Zhang, Dong-Qing Wei, Xiao-Feng Wang, Guang-Fu Ji
Summary: In this study, the intermolecular interactions and vibrational energy transfer processes between explosive compounds were investigated using theoretical calculations. The results show that the vibrational energy transfer between TNT and CL-20 is slower compared to the transfer between CL-20 and TNTII (TNTIII). Additionally, the intermolecular interactions between TNT/CL-20 include van der Waals interactions and hydrogen bonds, while the interactions between HMX/CL-20 are mainly comprised of van der Waals interactions. Stronger intermolecular interactions indicate lower impact sensitivity of energetic materials.
Article
Chemistry, Multidisciplinary
Siwei Song, Xiaolan Tian, Yi Wang, Xiujuan Qi, Qinghua Zhang
Summary: This study analyzed the property differences of cyclic nitramine explosives through static calculations and the BEC method, providing effective references for molecular design and structure-performance relationship analysis. The rationality of the BEC method was verified by comparing BECs in different polymorphs, shedding light on the impact of polymorphs on crystal density.
Article
Chemistry, Applied
Yu-chen Gao, Manman Li, Wei-tao Yang, Rui Hu, Yu-cheng Zhang
Summary: In this study, a photocuring formula was developed and 3D printed using a material extrusion technique for the production of propellants, explosives, and pyrotechnics. The thermal decomposition behavior and kinetics of the formula were investigated, and the gaseous products during decomposition were measured. The results indicated that the resin binder significantly influenced the decomposition of the compound, which exhibited two distinct exothermic processes with different activation energies.
PROPELLANTS EXPLOSIVES PYROTECHNICS
(2022)
Article
Chemistry, Physical
Mei Gui Vanessa Wee, Amutha Chinnappan, Runxin Shang, Poh Seng Lee, Seeram Ramakrishna
Summary: Cooling processes, from residences to industries, require a lot of energy and are essential. This study introduces MIL-101(Cr), a new desiccant, to heat exchangers for more efficient cooling. By improving the synthesis method and using a special binder, the MIL-101(Cr)-coated heat exchanger shows improved water uptake capacity and lower regeneration temperature.
JOURNAL OF MATERIALS CHEMISTRY A
(2024)
Article
Chemistry, Physical
Ao Zhen, Guanyu Zhang, Ao Wang, Feng Luo, Jiehua Li, Hong Tan, Zhen Li
Summary: In this study, a solvent-free microemulsion method was used to synthesize waterborne polyurethane (WPU) material with high retention of mechanical properties and satisfactory water absorption rates. The material showed excellent biocompatibility and has broad application potential in the field of biomedicine.
JOURNAL OF MATERIALS CHEMISTRY A
(2024)
Review
Chemistry, Physical
Wensong Ge, Rui Wang, Xiaoyang Zhu, Houchao Zhang, Luanfa Sun, Fei Wang, Hongke Li, Zhenghao Li, Xinyi Du, Huangyu Chen, Fan Zhang, Huifa Shi, Huiqiang Hu, Yongming Xi, Jiankang He, Liang Hu, Hongbo Lan
Summary: This paper reviews the research on the surface tension of eutectic gallium-indium alloys (EGaIn) in the field of stretchable electronics. It covers the principles of oxide layer formation, factors influencing surface tension, and methods for surface modification of liquid metals. The paper also discusses the applications of EGaIn surface modification in different fields and highlights the challenges still faced and the future outlook.
JOURNAL OF MATERIALS CHEMISTRY A
(2024)
Review
Chemistry, Physical
Xiang Song, Lianghao Jia, Zhengen Wei, Tao Xiang, Shaobing Zhou
Summary: This paper provides an overview of the application, preparation, and role of biomimetic structures in solar evaporators with improved evaporation rate and lifetime.
JOURNAL OF MATERIALS CHEMISTRY A
(2024)
Article
Chemistry, Physical
Wei Yuan, Qian Deng, Dong Pan, Xiang An, Canyang Zhao, Wenjun Su, Zhengmin He, Qiang Sun, Ran Ang
Summary: Optimizing the performance of n-type PbTe thermoelectric materials is crucial for practical applications. Dynamic doping has emerged as an effective method to improve the performance of n-type PbTe by optimizing the carrier concentration. This study demonstrates the significance of Mn alloying in enhancing the performance of Ag-doped n-type PbTe by creating a hierarchical structure to suppress thermal transport and improving the Seebeck coefficient.
JOURNAL OF MATERIALS CHEMISTRY A
(2024)
Review
Chemistry, Physical
Xiaoyan Wang, Meiqi Geng, Shengjun Sun, Qian Xiang, Shiyuan Dong, Kai Dong, Yongchao Yao, Yan Wang, Yingchun Yang, Yongsong Luo, Dongdong Zheng, Qian Liu, Jianming Hu, Qian Wu, Xuping Sun, Bo Tang
Summary: This review provides a comprehensive analysis of the progress and challenges in the field of bifunctional electrocatalysts and efficient electrolyzers for seawater splitting. It summarizes recent advancements and proposes future perspectives for highly efficient bifunctional electrocatalysts and electrolyzers.
JOURNAL OF MATERIALS CHEMISTRY A
(2024)
Article
Chemistry, Physical
Jason K. Phong, Christopher B. Cooper, Lukas Michalek, Yangju Lin, Yuya Nishio, Yuran Shi, Huaxin Gong, Julian A. Vigil, Jan Ilavsky, Ivan Kuzmenko, Zhenan Bao
Summary: Dynamic block copolymers (DBCPs) combine the phase separation of traditional block copolymers with the supramolecular self-assembly of periodic dynamic polymers, resulting in the spontaneous self-assembly of high aspect ratio nanofibers with well-ordered PEG and PDMS domains. DBCPs with a periodic block sequence exhibit superior properties compared to those with a random sequence, including delayed onset of terminal flow and higher ionic conductivity values.
JOURNAL OF MATERIALS CHEMISTRY A
(2024)
Article
Chemistry, Physical
Hong Kyu Lee, Yasaswini Oruganti, Jonghyeon Lee, Seunghee Han, Jihan Kim, Dohyun Moon, Min Kim, Dae-Woon Lim, Hoi Ri Moon
Summary: This study reports the moisture-triggered proton-conductivity switching behavior in Zn5FDC MOFs induced by the presence and absence of coordinating solvents, which illustrates the significant role of coordinating solvents in conductivity variation.
JOURNAL OF MATERIALS CHEMISTRY A
(2024)
Article
Chemistry, Physical
Bommaramoni Yadagiri, Sanjay Sandhu, Ashok Kumar Kaliamurthy, Francis Kwaku Asiam, Jongdeok Park, Appiagyei Ewusi Mensah, Jae-Joon Lee
Summary: The molecular engineering of the interface modulator between the perovskite and hole transporting material is crucial for achieving satisfactory performance and stability of perovskite solar cells. In this study, cruciform-shaped dual functional organic materials were employed as surface passivation and hole transporting interfacial layers in perovskite solar cells. The use of these materials significantly improved the power conversion efficiency of the solar cells.
JOURNAL OF MATERIALS CHEMISTRY A
(2024)
Article
Chemistry, Physical
Joaquin Martinez-Ortigosa, Reisel Millan, Jorge Simancas, Manuel Hernandez-Rodriguez, J. Alejandro Vidal-Moya, Jose L. Jorda, Charlotte Martineau-Corcos, Vincent Sarou-Kanian, Mercedes Boronat, Teresa Blasco, Fernando Rey
Summary: This study investigates the synthesis of all-silica RTH zeolites using triisopropyl(methyl)phosphonium as the organic SDA. The results show the formation of two distinct crystalline phases under different synthesis conditions, with fluoride bonding to different silicon sites. It demonstrates the possibility of controlling the placement of fluoride in RTH zeolites through synthesis conditions.
JOURNAL OF MATERIALS CHEMISTRY A
(2024)
Article
Chemistry, Physical
Luyao Zheng, Cong Liu, Wenbiao Zhang, Boxu Gao, Tianlan Yan, Yahong Zhang, Xiaoming Cao, Qingsheng Gao, Yi Tang
Summary: This study successfully improves the efficiency and stability of water splitting by constructing a heterostructured electrocatalyst. The catalyst shows extraordinary performance and could offer an effective approach for the sustainable production of hydrogen.
JOURNAL OF MATERIALS CHEMISTRY A
(2024)
Article
Chemistry, Physical
Carlos A. Campos-Roldan, Raphael Chattot, Frederic Pailloux, Andrea Zitolo, Jacques Roziere, Deborah J. Jones, Sara Cavaliere
Summary: This study systematically evaluated the hydrogen evolution/oxidation reactions on a series of Pt-rare earth nanoalloys in alkaline media, and identified the effect of the lanthanide contraction. The experimental results revealed that the chemical nature of the rare earth modulates the adsorption and mobility of oxygenated-species, enhancing the kinetics of the reactions.
JOURNAL OF MATERIALS CHEMISTRY A
(2024)
Article
Chemistry, Physical
Sara Frank, Mads Folkjaer, Mads L. N. Nielsen, Melissa J. Marks, Henrik S. Jeppesen, Marcel Ceccato, Simon J. L. Billinge, Jacopo Catalano, Nina Lock
Summary: This study investigates the thermal decomposition of ZIF-67 and its correlation with structural evolution and electrocatalytic performance. The researchers used in situ X-ray absorption spectroscopy and total scattering techniques to analyze the process. They found that disorder emerges at lower temperatures and that extending the pyrolysis process can result in materials with superior electrochemical properties.
JOURNAL OF MATERIALS CHEMISTRY A
(2024)
Article
Chemistry, Physical
Zi-Yang Zhang, Hao Tian, Han Jiao, Xin Wang, Lei Bian, Yuan Liu, Nithima Khaorapapong, Yusuke Yamauchi, Zhong-Li Wang
Summary: By constructing Cu-0-Cu+-NH2 composite interfaces with the assistance of SiO2, the electrochemical CO2 reduction reaction (CO2RR) achieves high Faraday efficiency and current density for C2+ production, improving the productivity of carbon cycle.
JOURNAL OF MATERIALS CHEMISTRY A
(2024)
Article
Chemistry, Physical
Ting Wang, Ruijuan Zhang, Pengda Zhai, Mingjie Li, Xinying Liu, Chaoxu Li
Summary: This study successfully exfoliated COFs using a simple electrochemical method, which resulted in improved photocatalytic performance for COFs and enriched the fabrication approach of COF exfoliation.
JOURNAL OF MATERIALS CHEMISTRY A
(2024)