Volume 3 Issue 1
Synthesis of Ultra long MnO2@CeO2 Core-Shell Hetero Structure Nanowires for Super Capacitor Application
Lei Wang 1, Hang Zhang, Yan Ding, Jing Xu, Mengmeng Li and Shengliang Zhong2
We give this report on the synthesis of ultra-long MnO2@CeO2 core shell hetero structure nanowires that have a length of up to several micrometres and diameters ranging from 30 to 80 nm. They were prepared via a facile route and have potential for application as a super capacitor electrode material. The structure and morphology of MnO2@CeO2 were characterized by X-ray diffraction (XRD), transmission electron microscopy (TEM), X-ray photoelectron spectroscopy (XPS), and so forth.
Effect of some group-II metals on RDX
The effects of Be, Mg and Ca atoms on the well-known explosive material, RDX are considered within the constraints of density functional theory at the levels of B3LYP/6-31++G(d,p) and ω B97X-D/6-31++G(d,p). Various structural, quantum chemical properties and IR spectra of the composite systems, RDX + metal are obtained and discussed. Although, Be and Mg do not affect RDX molecule appreciably, Ca atom causes the cleavage of one of the N-NO2 bonds and rupture of the RDX ring system. The RDX+Mg composite has the most narrow inter frontier molecular orbital energy gap among the composites considered. In all the cases, the metal atom acquires some positive charge.