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Yang R.,Xian University of Technology | Yang R.,Key Laboratory of Synthetic and Natural Functional Molecular Chemistry | Kang E.,Xian University of Technology | Jiang B.,Xian University of Technology | Song X.,Xian Jiaotong University
Advanced Materials Research | Year: 2011

LiFePO4/C is synthesized via sol-gel method using Fe 3+ as iron sources and complexing agents, followed by sintering at high temperature for crystallization. The amount of carbon in these composites is less than 6.8 wt.% and the XRD experiment confirms that all samples are pure single phase indexed with orthorhombic Pnma space group. The particle size of the LiFePO4/C synthesized by acetic acid as complexing agent is drastically fine with 200nm. The electrochemical performance of this material, including reversible capacity, cycle number and charge-discharge characteristics, exhibits better. © (2011) Trans Tech Publications, Switzerland. Source

Xu W.,Key Laboratory of Synthetic and Natural Functional Molecular Chemistry | Xu W.,Northwest University, China | Zhai G.-H.,Key Laboratory of Synthetic and Natural Functional Molecular Chemistry | Zhai G.-H.,Northwest University, China | And 7 more authors.
Huozhayao Xuebao/Chinese Journal of Explosives and Propellants | Year: 2010

The structures of 1,3,5-trinitro-1,3,5-triazine (RDX) and its complexes with the pyrolysis products (NH3, ClO3) of ammonium perchlorate (AP) were optimized by the B3LYP/6-31g (d) method, and the bond dissociation energies of N -NO2 for RDX and its complexes were calculated. The results show that the geometrical configurations of the RDX in the complexes are similar to the RDX structure, but the original Cs symmetry of RDX is destroyed. The axial nitryls of RDX in the complexes with NH3, ClO3 are prior to the equatorial nitryls in its pyrolysis process and there are trivial changes on the N -NO2 bond dissociation energies when RDX combines with NH3 and ClO3. However, once the complexes decompose, the product NO2can react with NH 3 more easily. This exothermic reaction may induce the subsequent pyrolysis process of RDX. Source

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