Abstract-We reported density functional studies of the structure and thermodynamics of NaMgH 3 in the cubic perovskite structure as well as corresponding fluorides. Analyses of the calculation results in terms of formation enthalpies, substitution enthalpies, reaction enthalpies showed that partial H were replaced with halogen in catalyst which improved thermodynamic properties, facilitate dehydrogenation of hydrides. The obtained calculation results suggested that halidedoped in NaMgH 3 may result in a favorable thermodynamics modification, and accordingly result in a favorable modification for onboard hydrogen storage application.

The chemical vapor deposition technique was used to prepare the Ag doped ZnO microrods, which were located on Si substrates at two different positions.  The scanning electron microscopy revealed that the samples have a clear hexagonal shape. X-ray diffraction provided information about the preferential orientation along the c-axis. The Raman analysis revealed that a new Raman mode appears at 492 cm-1 due to Ag doping. As this mode has not been reported early, it could be used as a characteristic mode of Ag doping in Raman spectrum. The red shift of the E2 (high) mode proves the existence of tensile stress in the samples. DOI: http://dx.doi.org/10.5755/j01.ms.25.3.19130

The ZnO micro-nanorods are controlledly synthesized by a simple chemical vapor deposition method. With different oxygen concentrations the micro-nanorods exhibit different extrinsic feature and length. Under lower oxygen concentration, the micro-nanorods are up to 1670 μm in length which can be easily operated in singlecrystalline. When the oxygen concentration up to 30 sccm, the surface of the sample is smoother. The Raman spectra reveal that ZnO micro-nanorods have an excellent hexagonal wurtzite structure. However, the micronanorods synthesized during lower oxygen concentration exhibit more oxygen defect. The morphology controlling deposition of ZnO mircro-nanorods were realized by adjust the concentration of oxygen, which has great significance for further gas sensor application.

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